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A coupled-cluster study of photodetachment cross sections of closed-shell anions

CUKRAS, JANUSZ WIKTOR
•
DECLEVA, PIETRO
•
CORIANI, Sonia
2014
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H−, Li−, Na−, F−, Cl−, and OH−. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species
DOI
10.1063/1.4900545
WOS
WOS:000344782200030
Archivio
http://hdl.handle.net/11368/2818923
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84910045148
http://dx.doi.org/10.1063/1.4900545
Diritti
metadata only access
Soggetti
  • STIELTJES IMAGING MET...

  • THRESHOLD, SPECTRUM, ...

Scopus© citazioni
13
Data di acquisizione
Jun 7, 2022
Vedi dettagli
Web of Science© citazioni
12
Data di acquisizione
Mar 20, 2024
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