Publikace ÚTF

Interatomic Coulombic decay in a He dimer: Ab initio potential-energy curves and decay widths

Kolorenč P.; Kryzhevoi N. V.; Sisourat N. and Cederbaum L. S.

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.
journal:Phys. Rev. A
pacs:33.80.Eh,, 31.50.Df

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