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/content/aip/journal/jcp/141/10/10.1063/1.4894844
2014-09-09
2016-09-28

Abstract

We use the scalar relativistic ionized equation-of-motion coupled-cluster approaches, correlating valence and semi-core electrons and including up to 3-hole-2-particle terms in the ionizing operator, to investigate the photoelectron spectrum of . We provide an accurate assignment of peaks and shoulders in the experimental photoelectron spectrum of for the first time.

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