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Photoionization cross section and asymmetry parameter of LiH: a mixed GTO/STOCOS L basis set calculation |
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| Authors: | Estela Carmona-Novillo Roberto Moccia Pietro Spizzo |
| Institution: | a Instituto de Matemáticas y Física Fundamental (C.S.I.C.), Serrano 123, E-28006, Madrid, Spain b Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, Pisa I-56126, Italy c Istituto di Chimica Quantistica ed Energetica Molecolare del CNR, Via Risorgimento 35, Pisa I-56126, Italy |
| Abstract: | The 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. |
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