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Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

CUKRAS, JANUSZ WIKTOR
•
CORIANI, Sonia
•
DECLEVA, PIETRO
altro
P. Norman
2013
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H2, H2O, NH3, HF, CO, and CO2
DOI
10.1063/1.4819126
WOS
WOS:000324378400007
Archivio
http://hdl.handle.net/11368/2755771
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84884779708
Diritti
metadata only access
Soggetti
  • Coupled cluster respo...

  • Photoionisation cross...

  • Stieltjes imaging

  • Lanczos algorithm

Web of Science© citazioni
32
Data di acquisizione
Mar 1, 2024
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