Publikace ÚTF

Interatomic Coulombic decay widths of helium trimer: Ab initio calculations

Kolorenč, P.; Sisourat, N.

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.
journal:Journal of Chemical Physics
jchemphys.142.224310.pdf (943.78 kB)

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