title: Communication: Coupled-cluster interpretation of the photoelectron spectrum of Au₃⁻.
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 Au₃⁻. We provide an accurate assignment of peaks and shoulders in the experimental photoelectron spectrum of Au₃⁻ for the first time.
authors.affiliation: Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
authors.forename: Nicholas P
authors.initials: NP
authors.lastname: Bauman
authors.affiliation: Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
authors.forename: Jared A
authors.initials: JA
authors.lastname: Hansen
authors.affiliation: Institute for Molecular Science and Research Center for Computational Science, Okazaki 444-8585, Japan.
authors.forename: Masahiro
authors.initials: M
authors.lastname: Ehara
authors.affiliation: Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
authors.forename: Piotr
authors.initials: P
authors.lastname: Piecuch