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Updated: Mar 15, 2026

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
Published on: July 27, 2018
Coupled-cluster interpretation of the photoelectron spectrum of Ag3 (.)
Nicholas P Bauman1, Jared A Hansen1, Piotr Piecuch1
1Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
Abstract:
We use the scalar relativistic ionized equation-of-motion coupled-cluster (IP-EOMCC) approaches to investigate the photoelectron spectrum of Ag3 (-), examining the effects of basis set, number of correlated electrons, level of applied theory including up to 3-hole-2-particle terms, and geometry relaxation. By employing an IP-EOMCC-based extrapolation scheme, we are able to provide an accurate interpretation and complete assignment of peaks and other key features in the experimentally observed spectra, including electron binding energies as high as about 6.5 eV.
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