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.
journal:Journal of Chemical Physics
grants:Non-radiative relaxation processes in ionized atomic and molecular systems, GAČR 208/12/0521; 2012-2015; hlavní řešitel: Přemysl Kolorenč
jchemphys.142.224310.pdf (943.78 kB)

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