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Elsevier, Journal of Electron Spectroscopy and Related Phenomena, (76), p. 307-312

DOI: 10.1016/0368-2048(95)02463-8

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Calculating triply ionized states of molecules by Green's functions: Carbon monoxide

Journal article published in 1995 by G. Handke, F. Tarantelli ORCID, A. Sgamellotti, L. S. Cederbaum
This paper is available in a repository.
This paper is available in a repository.

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Abstract

The second order ADC method to approximate the three-particle Green's function has been implemented. It allows the efficient ab initio calculation of a large number of triply ionized states of molecular systems. As an example the triple ionization spectrum of carbon monoxide is calculated and discussed with the aid of a three-hole population analysis.