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Direct SCF direct static-exchange calculations of electronic spectra |
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| Authors: | Hans Ågren Vincenzo Carravetta Olav Vahtras Lars G M Pettersson |
| Institution: | Institute of Physics and Measurement Technology, Link?ping University, S-58183, Link?ping, Sweden, SE ICQEM-C.N.R., Via Risorgimento 35, I-56100 Pisa, Italy, IT FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden, SE |
| Abstract: | Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (free molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy, ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy. Received: 28 December 1996 / Accepted: 8 April 1997 |
| Keywords: | : Direct methods Excited states Oligomers Adsorbates X-ray spectra |
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