Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 139, Issue 9, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4819126
Keywords
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Funding
- Italian PRIN2009 funding scheme
- FP7-PEOPLE-2009-IEF funding scheme [254326]
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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 H-2, H2O, NH3, HF, CO, and CO2. (C) 2013 AIP Publishing LLC.
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