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Photoionization cross section and asymmetry parameter of LiH: A mixed GTO/STOCOS L2 basis set calculation

AuthorsCarmona-Novillo, Estela ; Moccia, Roberto; Spizzo, Pietro
Issue Date1996
CitationChemical Physics 210: 435- 445 (1996)
AbstractThe outer-shell photoionization cross section and the asymmetry parameter are computed ab initio for LiH up to a photon energy of 50 eV. The calculations employ an L2 K-matrix technique at the Static-Exchange Approximation (SEA) and at the Random Phase Approximation (RPA) levels, using mixed GTO/STOCOS bases. The results shows a fairly good internal coherence and are in good agreement with those obtained previously with pure Polynomial Spherical GTO (PSGTO) bases. @ 1996 Elsevier Science B.V.
Identifiersdoi: 10.1016/0301-0104(96)00128-0
issn: 0301-0104
Appears in Collections:(CFMAC-IFF) Artículos
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