publications.bib

@article{ISI:000394634700024,
  author = {Stumpf, Vasili and Scheit, Simona and Kolorenč, Přemysl and Gokhberg,
   Kirill},
  title = {{Electron transfer mediated decay in NeXe triggered by K-LL Auger decay
   of Ne}},
  journal = {{CHEMICAL PHYSICS}},
  year = {{2017}},
  volume = {{482}},
  number = {{SI}},
  pages = {{192-200}},
  month = {{JAN 12}},
  abstract = {{In this article we present the results of an ab initio study of electron
   transfer mediated decay (ETMD) in NeXe dimer triggered by the K -LL
   Auger decay of Ne. We found that the Ne2+(2p(-2) D-1)Xe and Ne2+(2p(-2)
   S-1)Xe states which are strongly populated in the Auger process may
   decay by ETMD emitting a slow electron and leading to the Coulomb
   explosion of the dimer which results in Ne+ and Xe2+ ions. We also
   computed the corresponding decay widths, the ETMD electron spectra, and
   the kinetic energy release of the nuclei (KER) spectra. We showed that
   the spectra corresponding to the decaying states which derive from the
   two multiplets have completely different shape which reflects differing
   accessibility of the ETMD final states. Thus, in the Ne2+(2p(-2) S-1)Xe
   state ETMD is allowed for all interatomic distances accessible in
   nuclear dynamics, while in the Ne2+(2p(-2) D-1)Xe state the ETMD
   channels become closed one by one. This in turn leads to the different
   behavior of the ETMD decay widths and ultimately the spectra. We show
   how these differences make it possible to study ETMD of the two states
   separately in a coincident measurement. We also discuss how the dynamics
   which follow ETMD in the final state manifold may lead to the appearance
   of the unusual products: Ne, Xe3+ and a slow electron. (C) 2016 Elsevier
   B.V. All rights reserved.}},
  doi = {10.1016/j.chemphys.2016.08.018}
}
@article{ISI:000394634700023,
  author = {Rist, J. and Miteva, T. and Gaire, B. and Sann, H. and Trinter, F. and
   Keiling, M. and Gehrken, N. and Moradmand, A. and Berry, B. and Zohrabi,
   M. and Kunitski, M. and Ben-Itzhak, I. and Belkacem, A. and Weber, T.
   and Landers, A. L. and Schoeffler, M. and Williams, J. B. and Kolorenč,
   P. and Gokhberg, K. and Jahnke, T. and Doerner, R.},
  title = {{A comprehensive study of Interatomic Coulombic Decay in argon dimers:
   Extracting R-dependent absolute decay rates from the experiment}},
  journal = {{CHEMICAL PHYSICS}},
  year = {{2017}},
  volume = {{482}},
  number = {{SI}},
  pages = {{185-191}},
  month = {{JAN 12}},
  abstract = {{In this work we present a comprehensive and detailed study of
   Interatomic Coulombic Decay (ICD) occurring after irradiating argon
   dimers with XUV-synchrotron radiation. A manifold of different decay
   channels is observed and the corresponding initial and final states are
   assigned. Additionally, the effect of nuclear dynamics on the ICD
   electron spectrum is examined for one specific decay channel. The
   internuclear distance-dependent width Gamma(R) of the decay is obtained
   from the measured kinetic energy release distribution of the ions
   employing a classical nuclear dynamics model. (C) 2016 Elsevier B.V. All
   rights reserved.}},
  doi = {10.1016/j.chemphys.2016.09.024}
}
@article{0953-4075-49-8-082001,
  author = {Přemysl Kolorenč and Vitali Averbukh and Raimund Feifel and John Eland},
  title = {Collective relaxation processes in atoms, molecules and clusters},
  journal = {JOURNAL OF PHYSICS B: ATOMIC MOLECULAR AND OPTICAL PHYSICS},
  volume = {49},
  number = {8},
  pages = {082001},
  url = {http://stacks.iop.org/0953-4075/49/i=8/a=082001},
  year = {2016},
  abstract = {Electron correlation is an essential driver of a variety of relaxation processes in excited atomic and molecular systems. These are phenomena which often lead to autoionization typically involving two-electron transitions, such as the well-known Auger effect. However, electron correlation can give rise also to higher-order processes characterized by multi-electron transitions. Basic examples include simultaneous two-electron emission upon recombination of an inner-shell vacancy (double Auger decay) or collective decay of two holes with emission of a single electron. First reports of this class of processes date back to the 1960s, but their investigation intensified only recently with the advent of free-electron lasers. High fluxes of high-energy photons induce multiple excitation or ionization of a system on the femtosecond timescale and under such conditions the importance of multi-electron processes increases significantly. We present an overview of experimental and theoretical works on selected multi-electron relaxation phenomena in systems of different complexity, going from double Auger decay in atoms and small molecules to collective interatomic autoionization processes in nanoscale samples.}
}
@article{PhysRevLett.116.073001,
  title = {Ultrafast Molecular Three-Electron Auger Decay},
  author = {Feifel, Raimund and Eland, John H. D. and Squibb, Richard J. and Mucke, Melanie and Zagorodskikh, Sergey and Linusson, Per and Tarantelli, Francesco and Kolorenč, Přemysl and Averbukh, Vitali},
  journal = {PHYSICAL REVIEW LETTERS},
  volume = {116},
  issue = {7},
  pages = {073001},
  numpages = {5},
  year = {2016},
  abstract = {
Three-electron Auger decay is an exotic and elusive process, in which two outer-shell electrons simultaneously refill an inner-shell double vacancy with emission of a single Auger electron. Such transitions are forbidden by the many-electron selection rules, normally making their decay lifetimes orders of magnitude longer than the few-femtosecond lifetimes of normal (two-electron) Auger decay. Here we present theoretical predictions and direct experimental evidence for a few-femtosecond three-electron Auger decay of a double inner-valence-hole state in CH$_3$F. Our analysis shows that in contrast to double core holes, double inner-valence vacancies in molecules can decay exclusively by this ultrafast three-electron Auger process, and we predict that this phenomenon occurs widely.
},
  month = {Feb},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.116.073001},
  url = {http://link.aps.org/doi/10.1103/PhysRevLett.116.073001}
}
@article{jcp.1.4942483,
  author = {Sisourat, Nicolas and Kazandjian, Sévan and Randimbiarisolo, Aurélie and Kolorenč, Přemysl},
  title = {Interatomic Coulombic decay widths of helium trimer: A diatomics-in-molecules approach},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2016},
  volume = {144},
  number = {8},
  pages = {084111},
  month = {Feb},
  url = {http://scitation.aip.org/content/aip/journal/jcp/144/8/10.1063/1.4942483},
  doi = {http://dx.doi.org/10.1063/1.4942483},
  abstract = {We report a new method to compute the Interatomic Coulombic Decay (ICD) widths for large clusters which relies on the combination of the projection-operator formalism of scattering theory and the diatomics-in-molecules approach. The total and partial ICD widths of a cluster are computed from the energies and coupling matrix elements of the atomic and diatomic fragments of the system. The method is applied to the helium trimer and the results are compared to fully ab initio widths. A good agreement between the two sets of data is shown. Limitations of the present method are also discussed.}
}
@article{ISI:000367194300030,
  author = {Kolorenč, Přemysl and Sisourat, Nicolas},
  title = {Interatomic Coulombic decay widths of helium trimer: Ab initio
   calculations},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2015},
  volume = {143},
  number = {22},
  month = {Dec},
  abstract = {We report on an extensive study of interatomic Coulombic decay (ICD)
   widths in helium trimer computed using a fully ab initio method based on
   the Fano theory of resonances. Algebraic diagrammatic construction for
   one-particle Green's function is utilized for the solution of the
   many-electron problem. An advanced and universal approach to
   partitioning of the configuration space into discrete states and
   continuum subspaces is described and employed. Total decay widths are
   presented for all ICD-active states of the trimer characterized by
   one-site ionization and additional excitation of an electron into the
   second shell. Selected partial decay widths are analyzed in detail,
   showing how three-body effects can qualitatively change the character of
   certain relaxation transitions. Previously unreported type of
   three-electron decay processes is identified in one class of the
   metastable states. (C) 2015 AIP Publishing LLC.},
  doi = {10.1063/1.4936897},
  pages = {224310},
  issn = {0021-9606},
  eissn = {1089-7690},
  unique-id = {ISI:000367194300030}
}
@article{ISI:000365240900005,
  author = {Sanchez-Gonzalez, A. and Barillot, T. R. and Squibb, R. J. and Kolorenč,
   P. and Agaker, M. and Averbukh, V. and Bearpark, M. J. and Bostedt, C.
   and Bozek, J. D. and Bruce, S. and Montero, S. Carron and Coffee, R. N.
   and Cooper, B. and Cryan, J. P. and Dong, M. and Eland, J. H. D. and
   Fang, L. and Fukuzawa, H. and Guehr, M. and Ilchen, M. and Johnsson, A.
   S. and Liekhus-S, C. and Marinelli, A. and Maxwell, T. and Motomura, K.
   and Mucke, M. and Natan, A. and Osipov, T. and Ostlin, C. and
   Pernpointner, M. and Petrovic, V. S. and Robb, M. A. and Sathe, C. and
   Simpson, E. R. and Underwood, J. G. and Vacher, M. and Walke, D. J. and
   Wolf, T. J. A. and Zhaunerchyk, V. and Rubensson, J-E and Berrah, N. and
   Bucksbaum, P. H. and Ueda, K. and Feifel, R. and Frasinski, L. J. and
   Marangos, J. P.},
  title = {Auger electron and photoabsorption spectra of glycine in the vicinity of
   the oxygen K-edge measured with an X-FEL},
  journal = {JOURNAL OF PHYSICS B: ATOMIC MOLECULAR AND OPTICAL PHYSICS},
  year = {2015},
  volume = {48},
  number = {23},
  month = {DEC 14},
  abstract = {We report the first measurement of the near oxygen K-edge auger spectrum
   of the glycine molecule. Our work employed an x-ray free electron laser
   as the photon source operated with input photon energies tunable between
   527 and 547 eV. Complete electron spectra were recorded at each photon
   energy in the tuning range, revealing resonant and non-resonant auger
   structures. Finally ab initio theoretical predictions are compared with
   the measured above the edge auger spectrum and an assignment of auger
   decay channels is performed.},
  doi = {10.1088/0953-4075/48/23/234004},
  pages = {234004},
  issn = {0953-4075},
  eissn = {1361-6455},
  unique-id = {ISI:000365240900005}
}
@article{ISI:000352969600008,
  author = {Fasshauer, Elke and Kolorenč, Přemysl and Pernpointner, Markus},
  title = {Relativistic decay widths of autoionization processes: The relativistic
   FanoADC-Stieltjes method},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2015},
  volume = {142},
  number = {14},
  pages = {144106},
  month = {APR 14},
  abstract = {Electronic decay processes of ionized systems are, for example, the
   Auger decay or the Interatomic/Intermolecular Coulombic Decay. In both
   processes, an energetically low lying vacancy is filled by an electron
   of an energetically higher lying orbital and a secondary electron is
   instantaneously emitted to the continuum. Whether or not such a process
   occurs depends both on the energetic accessibility and the corresponding
   lifetime compared to the lifetime of competing decay mechanisms. We
   present a realization of the non-relativistically established
   FanoADC-Stieltjes method for the description of autoionization decay
   widths including relativistic effects. This procedure, being based on
   the Algebraic Diagrammatic Construction (ADC), was adapted to the
   relativistic framework and implemented into the relativistic quantum
   chemistry program package Dirac. It is, in contrast to other existing
   relativistic atomic codes, not limited to the description of
   autoionization lifetimes in spherically symmetric systems, but is
   instead also applicable to molecules and clusters. We employ this method
   to the Auger processes following the Kr3d(-1), Xe4d(-1), and Rn5d(-1)
   ionization. Based on the results, we show a pronounced influence of
   mainly scalar-relativistic effects on the decay widths of autoionization
   processes. (C) 2015 AIP Publishing LLC.},
  doi = {10.1063/1.4917255},
  issn = {0021-9606},
  eissn = {1089-7690},
  unique-id = {ISI:000352969600008}
}
@article{C4FD00051J,
  author = {Cooper, Bridgette and Kolorenč, Přemysl and Frasinski, Leszek J. and Averbukh, Vitali and Marangos, Jon P.},
  title = {Analysis of a measurement scheme for ultrafast hole dynamics by few femtosecond resolution X-ray pump-probe Auger spectroscopy},
  journal = {FARADAY DISCUSSIONS},
  year = {2014},
  volume = {171},
  issue = {0},
  pages = {93-111},
  publisher = {The Royal Society of Chemistry},
  doi = {10.1039/C4FD00051J},
  url = {http://dx.doi.org/10.1039/C4FD00051J},
  abstract = {Ultrafast hole dynamics created in molecular systems as a result of sudden ionisation is the focus of much attention in the field of attosecond science. Using the molecule glycine we show through ab initio simulations that the dynamics of a hole{,} arising from ionisation in the inner valence region{,} evolves with a timescale appropriate to be measured using X-ray pulses from the current generation of SASE free electron lasers. The examined pump-probe scheme uses X-rays with photon energy below the K edge of carbon (275-280 eV) that will ionise from the inner valence region. A second probe X-ray at the same energy can excite an electron from the core to fill the vacancy in the inner-valence region. The dynamics of the inner valence hole can be tracked by measuring the Auger electrons produced by the subsequent refilling of the core hole as a function of pump-probe delay. We consider the feasibility of the experiment and include numerical simulation to support this
analysis. We discuss the 
potential for all X-ray pump-X-ray probe Auger spectroscopy measurements for tracking hole migration.}
}
@article{jcp4898154,
  author = {Miteva, T. and Chiang, Y.-C. and Kolorenč, P. and Kuleff, A. I. and Cederbaum, L. S. and Gokhberg, K.},
  title = {The effect of the partner atom on the spectra of interatomic Coulombic decay triggered by resonant Auger processes},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2014},
  volume = {141},
  number = {16},
  pages = {164303},
  url = {http://scitation.aip.org/content/aip/journal/jcp/141/16/10.1063/1.4898154},
  doi = {http://dx.doi.org/10.1063/1.4898154},
  abstract = {
     The resonant-Auger – interatomic Coulombic decay (ICD) cascade was recently
       suggested as an efficient means of controlling the course of the ICD
       process. Recent theoretical and experimental works show that control over
       the energies of the emitted ICD electrons can be achieved either by
       varying the photon energy to produce different initial core excitations
       or by changing the neighboring species. This work presents a theoretical
       investigation on the role of the rare-gas neighbor and clarifies how the
       latter influences the ICD process. For this purpose, we compare fully ab
       initio computed ICD-electron and kinetic energy release spectra following
       the 2p 3/2 → 4s, 2p 1/2 → 4s and 2p 3/2 → 3d of Ar in ArKr and Ar2. We
       demonstrate that the presence of the chemically “softer” partner atom
       results in an increase in the energies of the emitted ICD electrons, and
       also in the appearance of additional ICD-active states. The latter leads
       to a threefold increase in the ICD yield for the case of the 2p 3/2, 1/2
       → 4s parent core excitations.
   }
}
@article{ISI:000340713700029,
  author = {Miteva, T. and Chiang, Y. -C. and Kolorenč, P. and Kuleff, A. I. and
   Gokhberg, K. and Cederbaum, L. S.},
  title = {Interatomic Coulombic decay following resonant core excitation of Ar in
   argon dimer},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2014},
  volume = {141},
  number = {6},
  month = {AUG 14},
  abstract = {A scheme utilizing excitation of core electrons followed by the
   resonant-Auger - interatomic Coulombic decay (RA-ICD) cascade was
   recently proposed as a means of controlling the generation site and
   energies of slow ICD electrons. This control mechanism was verified in a
   series of experiments in rare gas dimers. In this article, we present
   fully ab initio computed ICD electron and kinetic energy release spectra
   produced following 2p(3/2) -> 4s, 2p(1/2) -> 4s, and 2p(3/2) -> 3d core
   excitations of Ar in Ar-2. We demonstrate that the manifold of ICD
   states populated in the resonant Auger process comprises two groups. One
   consists of lower energy ionization satellites characterized by fast
   interatomic decay, while the other consists of slow decaying higher
   energy ionization satellites. We show that accurate description of
   nuclear dynamics in the latter ICD states is crucial for obtaining
   theoretical electron and kinetic energy release spectra in good
   agreement with the experiment. (C) 2014 AIP Publishing LLC.},
  doi = {10.1063/1.4891986},
  pages = {064307},
  issn = {0021-9606},
  eissn = {1089-7690},
  unique-id = {ISI:000340713700029}
}
@article{ISI:000330321000036,
  author = {Gokhberg, Kirill and Kolorenč, Přemysl and Kuleff, Alexander I. and
   Cederbaum, Lorenz S.},
  title = {Site- and energy-selective slow-electron production through
   intermolecular Coulombic decay},
  journal = {NATURE},
  year = {2014},
  volume = {505},
  number = {7485},
  pages = {661+},
  month = {JAN 30},
  abstract = {Irradiation of matter with light tends to electronically excite atoms
   and molecules, with subsequent relaxation processes determining where
   the photon energy is ultimately deposited and electrons and ions
   produced. In weakly bound systems, intermolecular Coulombic decay(1)
   (ICD) enables very efficient relaxation of electronic excitation through
   transfer of the excess energy to neighbouring atoms or molecules that
   then lose an electron and become ionized(2-9). Here we propose that the
   emission site and energy of the electrons released during this process
   can be controlled by coupling the ICD to a resonant core excitation. We
   illustrate this concept with ab initio many body calculations on the
   argon-krypton model system, where resonant photoabsorption produces an
   initial or `parent' excitation of the argon atom, which then triggers a
   resonant-Auger-ICD cascade that ends with the emission of a slow
   electron from the krypton atom. Our calculations show that the energy of
   the emitted electrons depends sensitively on the initial excited state
   of the argon atom. The incident energy can thus be adjusted both to
   produce the initial excitation in a chosen atom and to realize an
   excitation that will result in the emission of ICD electrons with
   desired energies. These properties of the decay cascade might have
   consequences for fundamental and applied radiation biology and could be
   of interest in the development of new spectroscopic techniques.},
  publisher = {NATURE PUBLISHING GROUP},
  address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND},
  type = {Article},
  language = {English},
  affiliation = {Gokhberg, K (Reprint Author), Heidelberg Univ, Inst Phys Chem, Neuenheimer Feld 229, D-69120 Heidelberg, Germany.
   Gokhberg, Kirill; Kuleff, Alexander I.; Cederbaum, Lorenz S., Heidelberg Univ, Inst Phys Chem, D-69120 Heidelberg, Germany.
   Kolorenč, Přemysl, Charles Univ Prague, Fac Math \& Phys, Inst Theoret Phys, CR-18000 Prague, Czech Republic.},
  doi = {10.1038/nature12936},
  issn = {0028-0836},
  eissn = {1476-4687},
  keywords-plus = {CORRELATED MOLECULAR CALCULATIONS; ATOM RESONANT PHOTOEMISSION;
   GAUSSIAN-BASIS SETS; CHARGE DEPENDENCE; AUGER-SPECTRA; STRAND BREAKS;
   AQUEOUS IONS; CORE-LEVEL; ARGON; WATER},
  research-areas = {Science \& Technology - Other Topics},
  web-of-science-categories = {Multidisciplinary Sciences},
  author-email = {kirill.gokhberg@pci.uni-heidelberg.de
   alexander.kuleff@pci.uni-heidelberg.de},
  funding-acknowledgement = {European Research Council under the European Community {[}227597]; Czech
   Science Foundation {[}P208/12/0521]},
  funding-text = {The research leading to these results received funding from the European
   Research Council under the European Community's Seventh Framework
   Programme (FP7/2007-2013)/ERC Advanced Investigator Grant no. 227597.
   P.K. acknowledges the support from the Czech Science Foundation (grant
   no. P208/12/0521).},
  number-of-cited-references = {50},
  times-cited = {0},
  journal-iso = {Nature},
  doc-delivery-number = {298JV},
  unique-id = {ISI:000330321000036}
}
@article{ISI:000323174200007,
  author = {Stumpf, V. and Kolorenč, P. and Gokhberg, K. and Cederbaum, L. S.},
  title = {Efficient Pathway to Neutralization of Multiply Charged Ions Produced in
   Auger Processes},
  journal = {PHYSICAL REVIEW LETTERS},
  year = {2013},
  volume = {110},
  number = {25},
  month = {JUN 21},
  abstract = {After core ionization of an atom or molecule by an x-ray photon,
   multiply charged ions are produced in the Auger decay process. These
   ions tend to neutralize their charge when embedded in an environment. We
   demonstrate that, depending on the atom or molecule and its neighbors,
   electron transfer mediated decay (ETMD) provides a particularly
   efficient neutralization pathway for the majority of the ions produced
   by Auger decay. The mechanism is rather general. As a showcase example,
   we conducted an ab initio study of the NeKr2 cluster after core
   ionization of the Ne atom. This example has been chosen because it is
   amenable to both ab initio calculations and coincidence experiments. We
   find that even for frozen nuclei, the neutralization rate can be as fast
   as 0.130 ps(-1). We also show that nuclear dynamics may increase the
   rate by about an order of magnitude. The generality of the mechanism
   makes this neutralization pathway important in weakly bonded
   environments.},
  publisher = {AMER PHYSICAL SOC},
  address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
  type = {Article},
  language = {English},
  affiliation = {Stumpf, V (Reprint Author), Heidelberg Univ, Inst Phys Chem, Neuenheimer Feld 229, D-69120 Heidelberg, Germany.
   Stumpf, V.; Gokhberg, K.; Cederbaum, L. S., Heidelberg Univ, Inst Phys Chem, D-69120 Heidelberg, Germany.
   Kolorenč, P., Charles Univ Prague, Fac Math \& Phys, Inst Theoret Phys, CR-18000 Prague, Czech Republic.},
  doi = {10.1103/PhysRevLett.110.258302},
  pages = {258302},
  issn = {0031-9007},
  keywords-plus = {ELECTRON-TRANSFER REACTIONS; GAUSSIAN-BASIS SETS; COULOMBIC DECAY;
   ENERGY-TRANSFER; CHEMISTRY; CLUSTERS; IONIZATION; SPECTRA; KRYPTON;
   ATOMS},
  research-areas = {Physics},
  web-of-science-categories = {Physics, Multidisciplinary},
  author-email = {kirill.gokhberg@pci.uni-heidelberg.de},
  funding-acknowledgement = {European Research Council under European Community {[}227597]; Czech
   Science Foundation {[}GACR P208/12/0521]},
  funding-text = {The authors thank Y.-C. Chiang for the generous help with calculations.
   The research leading to these results has received funding from the
   European Research Council under the European Community's Seventh
   Framework Programme (FP7/2007-2013)/ERC Advanced Investigator Grant No.
   227597. P.K. acknowledges financial support from the Czech Science
   Foundation (Project No. GACR P208/12/0521).},
  number-of-cited-references = {42},
  times-cited = {0},
  journal-iso = {Phys. Rev. Lett.},
  doc-delivery-number = {201WR},
  unique-id = {ISI:000323174200007}
}
@inproceedings{ISI:000314994700043,
  author = {Sisourat, Nicolas and Kryzhevoi, Nikolai V. and Kolorenč, Přemysl and
   Scheit, Simona and Cederbaum, Lorenz S.},
  editor = {Williams, ID and VanDerHart, HW and McCann, JF and Crothers, DSF},
  title = {Giant Interatomic Coulombic Decay},
  booktitle = {XXVII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
   COLLISIONS (ICPEAC 2011), PTS 1-15},
  series = {Journal of Physics Conference Series},
  year = {2012},
  volume = {388},
  note = {27th International Conference on Photonic, Electronic and Atomic
   Collisions (ICPEAC), Queens Univ Belfast, Belfast, NORTH IRELAND, JUL
   27-AUG 02, 2011},
  abstract = {On the example of the giant helium dimer, we present an efficient
   electronic decay process for excited atoms or molecules embedded in a
   chemical environment, called Interatomic (intermolecular) Coulombic
   decay (ICD). After simultaneous ionization and excitation of a helium
   atom within a helium dimer, the excited ion relaxes by ICD to He+ (1s)
   and the neighbor neutral helium is ionized to He+ (1s) as well and emits
   a secondary electron. A short review on ab initio methods developed
   during the last 10 years to accurately describe ICD is reported.
   Finally, the main striking results on the helium dimer obtained
   experimentally and theoretically are summarized.},
  publisher = {IOP PUBLISHING LTD},
  address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND},
  type = {Proceedings Paper},
  language = {English},
  affiliation = {Sisourat, N (Reprint Author), Univ Paris 06, Lab Chim Phys Matiere \& Rayonnement, UMR 7614, 11 Rue Pierre \& Marie Curie, F-75231 Paris 05, France.
   Sisourat, Nicolas, Univ Paris 06, Lab Chim Phys Matiere \& Rayonnement, UMR 7614, F-75231 Paris 05, France.},
  doi = {10.1088/1742-6596/388/1/012043},
  pages = {012043},
  issn = {1742-6588},
  keywords-plus = {LOW-ENERGY ELECTRONS; HELIUM DIMER; WATER; DIFFRACTION; MOLECULES;
   LIFETIME; STATE; BOND},
  research-areas = {Physics},
  web-of-science-categories = {Physics, Atomic, Molecular \& Chemical; Physics, Multidisciplinary},
  author-email = {Nicolas.Sisourat@upmc.fr},
  number-of-cited-references = {25},
  times-cited = {0},
  doc-delivery-number = {BDU81},
  unique-id = {ISI:000314994700043}
}
@incollection{ISI:000303132800006,
  author = {Averbukh, Vitali and Kolorenč, Přemysl},
  editor = {Nicolaides, CA and Brandas, E},
  title = {Electronic Decay in Multiply Charged Polyatomic Systems},
  booktitle = {ADVANCES IN QUANTUM CHEMISTRY, VOL 63: UNSTABLE STATES IN THE CONTINUOUS
   SPECTRA, PT II - INTERPRETATION, THEORY AND APPLICATIONS},
  series = {Advances in Quantum Chemistry},
  year = {2012},
  volume = {63},
  pages = {309-342},
  abstract = {Inner-shell ionization of atoms, molecules, and clusters often leads to
   creation of highly excited ionic states that are embedded into double
   (or even multiple) ionization continua and decay by electron emission.
   The most common electronic decay process triggered by core ionization is
   known as Auger effect. The dynamics of the Auger decay is usually
   assumed to be exponential, and the process is characterized by a decay
   rate. The advent of the high-intensity x-ray free-electron lasers and
   their envisaged applications in molecular imaging have made it necessary
   to consider Auger-type processes in polyatomic systems under conditions
   of multiple ionization, both in the core and in the valence shells.
   Here, we review our recent theoretical work on the theory of electronic
   decay in multiply charged molecules and clusters. Particular attention
   is given to the effects of the spectator vacancies on the Auger decay
   rates, trapping of the Auger electron in a multiply charged system, and
   collective decay of two vacancies.},
  publisher = {ELSEVIER ACADEMIC PRESS INC},
  address = {525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA},
  type = {Review; Book Chapter},
  language = {English},
  affiliation = {Averbukh, V (Reprint Author), Univ London Imperial Coll Sci Technol \& Med, Dept Phys, London SW7 2AZ, England.
   Averbukh, Vitali, Univ London Imperial Coll Sci Technol \& Med, Dept Phys, London SW7 2AZ, England.
   Kolorenč, Přemysl, Charles Univ Prague, Fac Math \& Phys, Inst Theoret Phys, CR-18000 Prague, Czech Republic.},
  doi = {10.1016/8978-0-12-397009-1.00006-0},
  issn = {0065-3276},
  isbn = {978-0-12-397009-1},
  keywords-plus = {PHOTOIONIZATION CROSS-SECTIONS; STIELTJES IMAGING METHOD;
   COUPLED-CLUSTER METHODS; AUGER TRANSITION RATES; INNER-SHELL LIFETIMES;
   X-RAY LASER; FLUORESCENCE YIELDS; CONFIGURATION-INTERACTION;
   PHOTOELECTRON-SPECTRUM; APPROXIMATION SCHEME},
  research-areas = {Chemistry},
  web-of-science-categories = {Chemistry, Physical},
  author-email = {v.averbukh@imperial.ac.uk
   kolorenc@mbox.troja.mff.cuni.cz},
  number-of-cited-references = {102},
  times-cited = {0},
  journal-iso = {Adv. Quantum Chem.},
  doc-delivery-number = {BZW39},
  unique-id = {ISI:000303132800006}
}
@article{ISI:000295625400041,
  author = {Kolorenč, Přemysl and Averbukh, Vitali},
  title = {K-shell Auger lifetime variation in doubly ionized Ne and first row
   hydrides},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2011},
  volume = {135},
  number = {13},
  month = {OCT 7},
  abstract = {We consider 1s Auger decay in doubly (core-core and core-valence)
   ionized Ne and in the isoelectronic first row element hydrides. We show
   theoretically that the presence of the spectator inner valence vacancy
   leads to Auger lifetime variation of up to about a factor of 2, relative
   to the Auger lifetimes in the singly ionized species. The origin of this
   effect is traced to spin selection rules. Implications on the modelling
   of the radiation damage in strong x-ray fields are discussed. (C) 2011
   American Institute of Physics. {[}doi:10.1063/1.3646204]},
  doi = {10.1063/1.3646204},
  pages = {134314},
  issn = {0021-9606},
  unique-id = {ISI:000295625400041}
}
@article{ISI:000288831300006,
  author = {Averbukh, V. and Demekhin, Ph. V. and Kolorenč, P. and Scheit, S. and
   Stoychev, S. D. and Kuleff, A. I. and Chiang, Y. -C. and Gokhberg, K.
   and Kopelke, S. and Sisourat, N. and Cederbaum, L. S.},
  title = {Interatomic electronic decay processes in singly and multiply ionized
   clusters},
  journal = {JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA},
  year = {2011},
  volume = {183},
  number = {1-3, SI},
  pages = {36-47},
  month = {JAN},
  abstract = {Since their theoretical prediction in 1997, interatomic
   (intermolecular)Coulombic decay (ICD) and relatedprocesses have been in
   the focus of intensive theoretical and experimental research. The
   spectacular progress in this direction has been stimulated both by the
   fundamental importance of the discovered electronic decay phenomena and
   by the exciting possibility of their practical application, for example
   in spectroscopy of interfaces. Interatomic decay phenomena take place in
   inner-shell-ionized clusters due to electronic correlation between two
   or more cluster constituents. These processes lead to the decay of
   inner-shell vacancies by electron emission and often also to
   disintegration of the resulting multiply ionized cluster. Here we review
   the recent progress in the study of interatomic decay phenomena in
   singly and multiply ionized clusters. (C) 2010 Elsevier B.V. All rights
   reserved.},
  doi = {10.1016/j.elspec.2010.03.003},
  issn = {0368-2048},
  unique-id = {ISI:000288831300006}
}
@article{ISI:000283769700006,
  author = {Sisourat, Nicolas and Kryzhevoi, Nikolai V. and Kolorenč, Přemysl and
   Scheit, Simona and Cederbaum, Lorenz S.},
  title = {Impact of nuclear dynamics on interatomic Coulombic decay in a He dimer},
  journal = {PHYSICAL REVIEW A},
  year = {2010},
  volume = {82},
  number = {5},
  month = {NOV 3},
  abstract = {After simultaneous ionization and excitation of one helium atom within
   the giant weakly bound helium dimer, the excited ion can relax via
   interatomic Coulombic decay (ICD) and the excess energy is transferred
   to ionize the neighboring helium atom. We showed {[}Sisourat et al.
   Nature Phys. 6, 508 (2010)] that the distributions of the kinetic energy
   released by the two ions reflect the nodal structures of the
   ICD-involved vibrational wave functions. We also demonstrated that
   energy transfer via ICD between the two helium atoms can take place over
   more than 14 angstrom. We report here a more detailed analysis of the
   ICD process and of the impact of the nuclear dynamics on the electronic
   decay. Nonadiabatic effects during the ICD process and the accuracy of
   the potential energy curve of helium dimer and of the computed decay
   rates are also investigated.},
  doi = {10.1103/PhysRevA.82.053401},
  pages = {053401},
  issn = {1050-2947},
  unique-id = {ISI:000283769700006}
}
@article{ISI:000283356800003,
  author = {Sisourat, Nicolas and Sann, Hendrik and Kryzhevoi, Nikolai V. and
   Kolorenč, Přemysl and Havermeier, Tilo and Sturm, Felix and Jahnke, Till
   and Kim, Hong-Keun and Doerner, Reinhard and Cederbaum, Lorenz S.},
  title = {Interatomic Electronic Decay Driven by Nuclear Motion},
  journal = {PHYSICAL REVIEW LETTERS},
  year = {2010},
  volume = {105},
  number = {17},
  month = {OCT 22},
  abstract = {The interatomic electronic decay after inner-valence ionization of a
   neon atom by a single photon in a neon-helium dimer is investigated. The
   excited neon atom relaxes via interatomic Coulombic decay and the excess
   energy is transferred to the helium atom and ionizes it. We show that
   the decay process is only possible if the dimer's bond stretches up to
   6.2 angstrom, i.e., to more than twice the equilibrium interatomic
   distance of the neutral dimer. Thus, it is demonstrated that the
   electronic decay, taking place at such long distances, is driven by the
   nuclear motion.},
  doi = {10.1103/PhysRevLett.105.173401},
  pages = {173401},
  issn = {0031-9007},
  unique-id = {ISI:000283356800003}
}
@article{ISI:000280450600004,
  author = {Kolorenč, Přemysl and Kryzhevoi, Nikolai V. and Sisourat, Nicolas and
   Cederbaum, Lorenz S.},
  title = {Interatomic Coulombic decay in a He dimer: Ab initio potential-energy
   curves and decay widths},
  journal = {PHYSICAL REVIEW A},
  year = {2010},
  volume = {82},
  number = {1},
  month = {JUL 28},
  abstract = {The energy gained by either of the two helium atoms in a helium dimer
   through simultaneous ionization and excitation can be efficiently
   transferred to the other helium atom, which then ionizes. The respective
   relaxation process called interatomic Coulombic decay (ICD) is the
   subject of the present paper. Specifically, we are interested in ICD of
   the lowest of the ionized excited states, namely, the He(+)(n = 2) He
   states, for which we calculated the relevant potential-energy curves and
   the interatomic decay widths. The full-configuration interaction method
   was used to obtain the potential-energy curves. The decay widths were
   computed by utilizing the Fano ansatz, Green's- function methods, and
   the Stieltjes imaging technique. The behavior of the decay widths with
   the interatomic distance is examined and is elucidated, whereby special
   emphasis is given to the asymptotically large interatomic separations.
   Our calculations show that the electronic ICD processes dominate over
   the radiative decay mechanisms over a wide range of interatomic
   distances. The ICD in the helium dimer has recently been measured by
   Havermeier et al. {[}Phys. Rev. Lett. 104, 133401 (2010)]. The impact of
   nuclear dynamics on the ICD process is extremely important and is
   discussed by Sisourat et al. {[}Nat. Phys. 6, 508 (2010)] based on the
   ab initio data computed in the present paper.},
  doi = {10.1103/PhysRevA.82.013422},
  pages = {013422},
  issn = {1050-2947},
  unique-id = {ISI:000280450600004}
}
@article{ISI:000279428600016,
  author = {Sisourat, Nicolas and Kryzhevoi, Nikolai V. and Kolorenč, Přemysl and
   Scheit, Simona and Jahnke, Till and Cederbaum, Lorenz S.},
  title = {Ultralong-range energy transfer by interatomic Coulombic decay in an
   extreme quantum system},
  journal = {NATURE PHYSICS},
  year = {2010},
  volume = {6},
  number = {7},
  pages = {508-511},
  month = {JUL},
  abstract = {When an atom is electronically excited, it relaxes by emitting a photon
   or an electron. These carry essential information on the electronic
   structure of their emitter. However, if an atom is embedded in a
   chemical environment, another ultrafast non-radiative decay process
   called interatomic Coulombic decay (ICD) can become operative(1). As ICD
   occurs only in the presence of neighbours, it is highly sensitive to
   that environment. Therefore, it has the potential to become a powerful
   spectroscopic method to probe the close environment of a system. ICD has
   been observed experimentally in van der Waals clusters(2-5) as well as
   in hydrogen-bonded systems(6-8). A key feature of ICD is that the
   excited atom can transfer its excess energy to its neighbours over large
   distances. The giant extremely weakly bound helium dimer is a perfect
   candidate to investigate how far two atoms can exchange energy. We
   report here that the two helium atoms within the dimer can exchange
   energy by ICD over distances of more than 45 times their atomic radius.
   Moreover, we demonstrate that ICD spectroscopy can be used for imaging
   vibrational wavefunctions of the ionized-excited helium dimer.},
  doi = {10.1038/NPHYS1685},
  issn = {1745-2473},
  unique-id = {ISI:000279428600016}
}
@article{ISI:000277227300097,
  author = {Fedor, J. and Winstead, C. and McKoy, V. and Čížek, M. and Houfek, K.
   and Kolorenč, P. and Horáček, J.},
  title = {Electron scattering in HCl: An improved nonlocal resonance model},
  journal = {PHYSICAL REVIEW A},
  year = {2010},
  volume = {81},
  number = {4},
  month = {APR},
  abstract = {We present an improved nonlocal resonance model for electron-HCl
   collisions. The short-range part of the model is fitted to ab initio
   electron-scattering eigenphase sums calculated using the Schwinger
   multichannel method, while the long-range part is based on the ab initio
   potential-energy curve of the bound anion HCl(-). This model
   significantly improves the agreement of nonlocal resonance calculations
   with recent absolute experimental data on dissociative electron
   attachment cross sections for HCl and DCl. It also partly resolves an
   inconsistency in the temperature effect in dissociative electron
   attachment to HCl present in the literature. Finally, the present model
   reproduces all qualitative structures observed previously in elastic
   scattering and vibrational-excitation cross sections.},
  doi = {10.1103/PhysRevA.81.042702},
  pages = {042702},
  issn = {1050-2947},
  unique-id = {ISI:000277227300097}
}
@article{ISI:000274001500096,
  author = {Gokhberg, K. and Kopelke, S. and Kryzhevoi, N. V. and Kolorenč, P. and
   Cederbaum, L. S.},
  title = {Dependence of interatomic decay widths on the symmetry of the decaying
   state: Analytical expressions and ab initio results},
  journal = {PHYSICAL REVIEW A},
  year = {2010},
  volume = {81},
  number = {1},
  month = {JAN},
  abstract = {In this article, we investigate the dependence of interatomic Coulombic
   decay widths on the symmetry of the decaying state. In this type of
   decay, excited, ionized, and doubly ionized states of an atom or
   molecule can efficiently relax by ionizing their environment. We
   concentrate on an atom A and a neighboring atom B and consider such
   excited, ionized, or doubly ionized states of A that decay by emitting a
   single photon if A were an isolated atom. Analytical expressions for the
   various widths are derived for large interatomic distances R. A
   pronounced dependence of the widths on the symmetry properties of the
   decaying state is found. This dependence at large R is related to the
   dependence of the interaction energy of two classical dipoles on their
   mutual orientation. Comparison with precise ab initio calculations shows
   that the analytical results hold well at large R, while they deviate
   from the ab initio values at smaller R due to the effect of orbital
   overlap.},
  doi = {10.1103/PhysRevA.81.013417},
  pages = {013417},
  issn = {1050-2947},
  unique-id = {ISI:000274001500096}
}
@article{ISI:000271352400013,
  author = {Averbukh, Vitali and Kolorenč, Přemysl},
  title = {Collective Interatomic Decay of Multiple Vacancies in Clusters},
  journal = {PHYSICAL REVIEW LETTERS},
  year = {2009},
  volume = {103},
  number = {18},
  month = {OCT 30},
  abstract = {We predict that inner-shell ionization of more than one atom (or
   molecule) in a cluster, e.g., by intense free-electron laser radiation,
   can lead to an interatomic decay process in which the formed vacancy
   states decay simultaneously, while a neighboring neutral species is
   ionized. This collective decay phenomenon can be regarded as a transfer
   of two or more virtual photons from the ionized cluster units to a
   neutral one. Simulations of collective decay in (4(s)(-1), 4(s)(-1))
   (Kr(+))(2)Ar show that the two-virtual-photon process can be competitive
   with the dissociative nuclear dynamics of the doubly ionized cluster.
   Generality of the collective interatomic decay is discussed.},
  doi = {10.1103/PhysRevLett.103.183001},
  pages = {183001},
  issn = {0031-9007},
  unique-id = {ISI:000271352400013}
}
@article{ISI:000269814800015,
  author = {Demekhin, Ph. V. and Chiang, Y. -C. and Stoychev, S. D. and Kolorenč, P.
   and Scheit, S. and Kuleff, A. I. and Tarantelli, F. and Cederbaum, L. S.},
  title = {Interatomic Coulombic decay and its dynamics in NeAr following K-LL
   Auger transition in the Ne atom},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2009},
  volume = {131},
  number = {10},
  month = {SEP 14},
  abstract = {We analyze in detail the accessible relaxation pathways via electron
   emission of the Ne(2+)Ar states populated via the K-LL Auger decay of
   Ne(+)(1s(-1))Ar. In particular, we concentrate on the ``direct{''}
   interatomic Coulombic decay (ICD) of the Ne(2+)(2s(-1)2p(-1))Ar weakly
   bound doubly ionized states into the manifold of the
   Ne(2+)(2p(-2))-Ar(+)(3p(-1)) repulsive triply ionized ones. To carry out
   the present study the potential energy curves of the NeAr ground state,
   the core ionized state Ne(+)(1s(-1))Ar, the relevant dicationic and
   tricationic states, and the corresponding ICD transition rates have been
   computed using accurate ab initio methods and basis sets. The total and
   partial ICD electron spectra are computed within the framework of the
   time-dependent theory of wave packet propagation. Thereby, the impact of
   nuclear dynamics accompanying the electronic decay on the computed
   ICD-electron spectra is investigated in detail. (C) 2009 American
   Institute of Physics. {[}doi:10.1063/1.3211114]},
  doi = {10.1063/1.3211114},
  pages = {104303},
  issn = {0021-9606},
  unique-id = {ISI:000269814800015}
}
@inproceedings{ISI:000281727000008,
  author = {Averbukh, V. and Kolorenč, P. and Gokhberg, K. and Cederbaum, L. S.},
  editor = {Piecuch, P and Maruani, J and DelgadoBarrio, G and Wilson, S},
  title = {Quantum Chemical Approach to Interatomic Decay Rates in Clusters},
  booktitle = {ADVANCES IN THE THEORY OF ATOMIC AND MOLECULAR SYSTEMS: DYNAMICS,
   SPECTROSCOPY, CLUSTERS, AND NANOSTRUCTURES},
  series = {Progress in Theoretical Chemistry and Physics},
  year = {2009},
  volume = {20},
  pages = {155-181},
  note = {13th International Workshop on Quantum Systems in Chemisty and Physics,
   E Lansing, MI, JUL 06-12, 2008},
  organization = {Michigan State Univ, James B Henry Ctr, Execut Dev},
  abstract = {Since their theoretical prediction in 1997, interatomic (intermolecular)
   Coulombic decay (ICD) and related processes have been in the focus of
   intensive theoretical and experimental research. The spectacular
   progress in this direction has been stimulated both by the fundamental
   importance of the discovered electronic decay phenomena and by the
   exciting possibility of their practical application, for example, in
   spectroscopy of interfaces. Interatomic decay phenomena take place in
   inner-shell-ionized clusters due to electronic correlation between two
   or more cluster constituents. These processes lead to the decay of
   inner-shell vacancies by electron emission and often also to the
   disintegration of the resulting multiple ionized cluster. The primary
   objective of the theory is, thus, to predict the kinetic energy spectra
   of the emitted electrons and of the cluster fragments. These spectra are
   determined by an interplay between the electronic decay process and the
   nuclear dynamics. Key to the reliable prediction of the observable
   quantities is the knowledge of the time scale of the interatomic decay.
   Here we review the recent progress in the development of ab initio
   quantum chemical methods for the calculation of interatomic decay rates
   in excited, singly ionized, and doubly ionized systems as well as some
   of their applications, e.g., to rare gas systems and to endohedral
   fullerenes.},
  doi = {10.1007/978-90-481-2985-0\_8},
  issn = {1567-7354},
  isbn = {978-90-481-2984-3},
  unique-id = {ISI:000281727000008}
}
@article{ISI:000262226800004,
  author = {Kolorenč, Přemysl and Averbukh, Vitali and Gokhberg, Kirill and
   Cederbaum, Lorenz S.},
  title = {Ab initio calculation of interatomic decay rates of excited doubly
   ionized states in clusters},
  journal = {THE JOURNAL OF CHEMICAL PHYSICS},
  year = {2008},
  volume = {129},
  number = {24},
  month = {DEC 28},
  abstract = {Recently, a computational technique for ab initio calculation of the
   interatomic and intermolecular nonradiative decay processes has been
   developed {[}V. Averbukh and L. S. Cederbaum, J. Chem. Phys. 123, 204107
   (2005)]. It combines the Fano formalism with the Green's function method
   known as the algebraic diagrammatic construction. The problem of
   normalization of continuum wave functions stemming from the use of the
   Gaussian basis sets is solved by using the Stieltjes imaging technique.
   In the present paper, the methodology is extended in order to describe
   the interatomic decay of excited doubly ionized states of clusters. The
   new computational scheme is applied to compute the interatomic decay
   rates of doubly ionized states formed by Auger relaxation of core
   vacancies in NeAr and MgNe van der Waals clusters.},
  doi = {10.1063/1.3043437},
  pages = {244102},
  issn = {0021-9606},
  unique-id = {ISI:000262226800004}
}
@inproceedings{ISI:000260488100033,
  author = {Šulc, Miroslav and Kolorenč, Přemysl and Tarana, Michal and Horáček,
   Jiří},
  editor = {Simos, TE and Maroulis, G},
  title = {Fast and Efficient Solution of Scattering Integral Equations},
  booktitle = {SELECTED PAPERS FROM ICNAAM 2007 AND ICCMSE 2007},
  series = {AIP CONFERENCE PROCEEDINGS},
  year = {2008},
  volume = {1046},
  pages = {142-145},
  note = {International Conference on Computational Methods in Science and
   Engineering, Corfu, GREECE, SEP   25, 2008-SEP 30, 2009},
  abstract = {In this work we propose a method for numerical treatment of integral
   equations describing scattering of low-energy electrons with atoms and
   molecules. The method is based on a combination of R-matrix approach
   with the Schwinger-Lanczos method proposed by the authors. It is shown
   on the example of scattering of electrons by hydrogen atoms in the
   static exchange approximation that the method is very fast, economic and
   very accurate. By using only 64 meshpoints the accuracy of 9 significant
   figures can be easily obtained.},
  issn = {0094-243X},
  isbn = {978-0-7354-0574-5},
  unique-id = {ISI:000260488100033}
}
@article{ISI:000244532300071,
  author = {Fedor, J. and Cingel, M. and Skalny, J. D. and Scheier, P. and Maerk, T.
   D. and Čížek, M. and Kolorenč, P. and Horáček, J.},
  title = {Dissociative electron attachment to HBr: A temperature effect},
  journal = {PHYSICAL REVIEW A},
  year = {2007},
  volume = {75},
  number = {2},
  month = {FEB},
  abstract = {The effects of rovibrational temperature on dissociative electron
   attachment to hydrogen bromide has been investigated from the
   experimental and theoretical point of view. Theoretical calculations
   based on the nonlocal resonance model predict a strong temperature
   effect on the Br- fragment ion yield due to population of higher
   vibrational and rotational states. A crossed beam experimental setup
   consisting of a temperature controlled effusive molecular beam and a
   trochoidal electron monochromator has been used to confirm this
   prediction. The high degree of agreement between experiment and theory
   indicates the validity of the theoretical model and its underlying
   physical picture.},
  doi = {10.1103/PhysRevA.75.022703},
  pages = {022703},
  issn = {1050-2947},
  unique-id = {ISI:000244532300071}
}
@inproceedings{ISI:000246215300016,
  author = {Horáček, Jiří and Čížek, Martin and Houfek, Karel and Kolorenč, Přemysl},
  editor = {Roueff, E},
  title = {Long-lived states of molecular hydrogen anion},
  booktitle = {Atomic and Molecular Data and Their Applications},
  series = {AIP CONFERENCE PROCEEDINGS},
  year = {2007},
  volume = {901},
  pages = {147-155},
  note = {5th International Conference on Atomic and Molecular Data and Their
   Applications, Meudon, FRANCE, OCT 15-NOV 19, 2006},
  organization = {Consell Sci Observ Paris; Observ Paris, Dept LUTh; Observ Paris, Dept
   LERMA; CNRS; Programme Natl Phys \& Chimie Milleu Interstellaire;
   Programme Natl Planetol; Programme Natl Phys Stellaire; Assoc Euratom
   CEA; Inst Lasers \& Plasmas; Reg Ile France},
  abstract = {The existence of long-lived states (of the order of microseconds) of the
   molecular hydrogen anion H-2(-) is discussed both from theoretical and
   experimental points of view. The history of experimental search for
   these states is briefly reviewed and a theoretical explanation based on
   the use of the nonlocal resonance model offered. Final unambiguous
   confirmation of the existence by means of the accelerator mass
   spectrometry and mass spectrometry and the measurement of their
   lifetimes in electrostatic ion-beam trap is described.},
  issn = {0094-243X},
  isbn = {978-0-7354-0407-6},
  unique-id = {ISI:000246215300016}
}
@article{ISI:000243166700071,
  author = {Kolorenč, Přemysl and Horáček, Jiří},
  title = {Dissociative electron attachment and vibrational excitation of the
   chlorine molecule},
  journal = {PHYSICAL REVIEW A},
  year = {2006},
  volume = {74},
  number = {6},
  month = {DEC},
  abstract = {This paper is aimed at the theoretical investigation of the inelastic
   processes taking place in resonant collisions of low-energy electrons
   with the chlorine molecule. Dissociative electron attachment and
   vibrational excitation of Cl-2 by electron impact is investigated in the
   energy range 0-1.5 eV, where the (2)Sigma(+)(u) resonance plays the
   central role. The calculations were carried out within the framework of
   the nonlocal resonance model. This approach makes it possible to
   calculate the integrated cross sections of the above-mentioned processes
   for a variety of initial and final rovibrational states of the target
   molecule. The present model is constructed on the basis of ab initio
   fixed-nuclei R-matrix calculations using the so-called Feshbach-Fano
   R-matrix method. The Schwinger-Lanczos algorithm was utilized to solve
   the Lippmann-Schwinger equation describing the motion of the nuclei.},
  doi = {10.1103/PhysRevA.74.062703},
  pages = {062703},
  issn = {1050-2947},
  unique-id = {ISI:000243166700071}
}
@article{ISI:000235668100098,
  author = {Horáček, J and Čížek, M and Houfek, K and Kolorenč, P and Domcke, W},
  title = {Dissociative electron attachment and vibrational excitation of H-2 by
   low-energy electrons: Calculations based on an improved nonlocal
   resonance model. II. Vibrational excitation},
  journal = {PHYSICAL REVIEW A},
  year = {2006},
  volume = {73},
  number = {2},
  month = {FEB},
  abstract = {We treat vibrational excitation of hydrogen by low-energy electrons
   using an improved nonlocal resonance model. The model is based on
   accurate ab initio data for the (2)Sigma(+)(u) shape resonance and takes
   full account of the nonlocality of the effective potential for nuclear
   motion. Integral vibrational excitation cross sections were calculated
   for numerous initial and final rovibrational states of the hydrogen
   molecule, and the dependence of the vibrational excitation cross section
   on the rovibrational initial target state has been investigated. The
   vibrational excitation cross sections are in very good agreement with
   measurements for the transitions v=0 -> 1 and v=0 -> 2, while for higher
   vibrational channels the agreement is less satisfactory. However, the
   oscillatory structures in v=0 -> 4 vibrational excitation and higher
   channels predicted by Domcke and collaborators and measured by Allan are
   described by the present calculation, in very good agreement with the
   experimental data. A detailed analysis of the origin of the oscillations
   has been performed. It is shown that the oscillations can be
   qualitatively understood within the so-called boomerang model of
   Herzenberg. The resonance contribution to the vibrationally elastic
   scattering (v -> v) is also discussed. It is found that this cross
   section is dominated at low energies by the resonance contribution, as
   predicted by Schulz. The calculated integral vibrational excitation
   cross sections generally are in good agreement with other theoretical
   data obtained by different approaches. A comprehensive study of the
   effect of isotopic substitution has been performed, and an inverse
   isotope effect in vibrational excitation has been found for certain
   vibrational levels of the target.},
  doi = {10.1103/PhysRevA.73.022701},
  pages = {022701},
  issn = {1050-2947},
  unique-id = {ISI:000235668100098}
}
@article{ISI:000231807500007,
  author = {Horáček, J and Čížek, M and Kolorenč, P and Domcke, W},
  title = {Isotope effects in vibrational excitation and dissociative electron
   attachment of DCl and DBr},
  journal = {EUROPEAN PHYSICAL JOURNAL D},
  year = {2005},
  volume = {35},
  number = {2},
  pages = {225-230},
  month = {AUG},
  abstract = {The results of calculations of vibrational excitation and dissociative
   electron attachment cross-sections of DCl and DBr are reported. The
   calculations are based on the nonlocal resonance model for
   electron-HCl/HBr scattering. The cross-sections for many initial
   rovibrational target states were calculated both for the hydrogenated
   and the deuterated compounds. The calculations reveal an unexpected
   result: the vibrational excitation cross-section of the deuterated
   molecule may in some cases be (significantly) larger than that of the
   hydrogenated compound. This effect is observed when the target molecule
   is initially excited to a vibrational state the energy of which is close
   to the threshold of dissociative attachment. Rotational excitation of
   the target molecule plays a similar role. Isotope effects in
   dissociative electron attachment are also discussed.},
  doi = {10.1140/epjd/e2005-00196-3},
  issn = {1434-6060},
  unique-id = {ISI:000231807500007}
}
@article{ISI:000230887300088,
  author = {Kolorenč, P and Brems, V and Horáček, J},
  title = {Computing resonance positions, widths, and cross sections via the
   Feshbach-Fano R-matrix method: Application to potential scattering},
  journal = {PHYSICAL REVIEW A},
  year = {2005},
  volume = {72},
  number = {1, Part a-b},
  month = {JUL},
  abstract = {The general Feshbach-Fano R-matrix procedure proposed recently by
   Nestmann {[}J. Phys. B 31, 3929 (1998)] makes it possible to construct
   resonance metastable states of transient molecular ions and their
   coupling elements to the background scattering continuum. These
   quantities are needed for the study of nuclear dynamics in the framework
   of the nonlocal resonance model. The performance of this approach is
   carefully studied and its properties analyzed in the field of potential
   scattering. An improvement of the Nestmann procedure which makes the
   calculation more stable and robust is proposed.},
  doi = {10.1103/PhysRevA.72.012708},
  pages = {012708},
  issn = {1050-2947},
  unique-id = {ISI:000230887300088}
}
@article{ISI:000225479000082,
  author = {Horáček, J and Čížek, M and Houfek, K and Kolorenč, P and Domcke, W},
  title = {Dissociative electron attachment and vibrational excitation of H-2 by
   low-energy electrons: Calculations based on an improved nonlocal
   resonance model},
  journal = {PHYSICAL REVIEW A},
  year = {2004},
  volume = {70},
  number = {5},
  month = {NOV},
  abstract = {An improved nonlocal resonance model proposed by Čížek, Horáček, and
   Domcke {[}J. Phys. B 31, 2571 (1998)] is used for the calculation of
   cross sections of electron dissociative attachment and vibrational
   excitation of molecular hydrogen by the impact of low-energy electrons
   in the range of (2)Sigma(u)(+) resonance. The model is based on ab
   initio data and takes full account of the nonlocality of the effective
   potential for the nuclear motion. The dissociative attachment cross
   sections and rate constants are calculated for all target states (v,J)
   of relevance and compared with other theoretical and experimental data.
   It is found that the present dissociative attachment cross section
   calculated under the conditions of the experiment carried out by Schulz
   and Asundi reproduces the larger of the two values proposed by them,
   i.e.-2.8x10(-21) cm(2). A detailed discussion of the dissociative
   attachment cross section as a function of the vibrational and rotational
   target states is given. Very narrow peaks, with a width of 1 meV, are
   observed in the dissociative attachment cross section for large values
   of the orbital quantum number J. These structures are interpreted as
   shape resonances in H-+H collision dynamics. It is shown that for large
   values of J rotational excitation of the hydrogen molecule enhances the
   dissociative attachment more efficiently than vibrational excitation.
   The largest dissociative attachment cross section of 28.3x10(-16) cm(2)
   is obtained for v=1 and J=29. The process of vibrational excitation will
   be discussed in a separate paper.},
  doi = {10.1103/PhysRevA.70.052712},
  pages = {052712},
  issn = {1050-2947},
  unique-id = {ISI:000225479000082}
}
@article{ISI:000183437700009,
  author = {Horáček, J and Čížek, M and Houfek, K and Kolorenč, P and Pichl, L},
  title = {Resonance contributions to low-energy electron collisions with molecular
   hydrogen},
  journal = {NUKLEONIKA},
  year = {2003},
  volume = {48},
  number = {2},
  pages = {109-112},
  note = {2nd International Symposium on Low Energy Electron-Molecule
   Interactions, CHLEWISKA SIEDLCE, POLAND, AUG 29-SEP 02, 2002},
  organization = {Polish Comm Sci Res; Univ Podlasie, Inst Chem; Ruch; Baumann Mostostal
   Sp zoo; Hurtownia Papiernicza Marker; Pol Pasz Sp zoo},
  abstract = {Calculations of electron dissociative attachment and vibrational
   excitation of molecular hydrogen by low-energy electrons based on an
   improved nonlocal resonance model are reported. The role of the
   rotational excitation of the target molecules is discussed.},
  issn = {0029-5922},
  unique-id = {ISI:000183437700009}
}
@article{ISI:000175278500006,
  author = {Kolorenč, P and Čížek, M and Horáček, J and Mil'nikov, G and Nakamura, H},
  title = {Study of dissociative electron attachment to HI molecule by using
   R-matrix representation for Green's function},
  journal = {PHYSICA SCRIPTA},
  year = {2002},
  volume = {65},
  number = {4},
  pages = {328-335},
  month = {APR},
  abstract = {The new method of calculation of scattering Green's function recently
   proposed by the authors (G. M. Mil'nikov. H. Nakamura, and J. Horáček.
   Comp. Phys. Comm. 135, 278 (2001)) is applied to the process of
   dissociative attachment of low-energy electrons to HI molecule
   previously considered by Horáček, Domcke and Nakamura (Z. Phys, D 42,
   181 (1997)). The calculation is extended to vibrationally and
   rotationally excited target gas molecules. The temperature dependence of
   the dissociative attachment cross section is determined.},
  doi = {10.1238/Physica.Regular.065a00328},
  issn = {0031-8949},
  unique-id = {ISI:000175278500006}
}

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