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Titolo:
METHOD OF CALCULATION OF MOLECULAR AUGER-SPECTRA BASED ON ONE-CENTER DECOMPOSITION OF MO LCAO
Autore:
KOCHUR AG; NOVIKOV SA; SUKHORUKOV VL;
Indirizzi:
ROSTOV RAILWAY ENGINEERS INST,CHAIR PHYS ROSTOV NA DONU 344017 RUSSIA
Titolo Testata:
Chemical physics letters
fascicolo: 5-6, volume: 208, anno: 1993,
pagine: 541 - 544
SICI:
0009-2614(1993)208:5-6<541:MOCOMA>2.0.ZU;2-D
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRON SPECTRUM; TRANSITION RATES; CO; SHELLS; HF;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
15
Recensione:
Indirizzi per estratti:
Citazione:
A.G. Kochur et al., "METHOD OF CALCULATION OF MOLECULAR AUGER-SPECTRA BASED ON ONE-CENTER DECOMPOSITION OF MO LCAO", Chemical physics letters, 208(5-6), 1993, pp. 541-544

Abstract

A method of calculating molecular Auger spectra is developed. The method is based on the use of a basis of non-coupling momenta for Auger transition final states, one-centre decomposition of the valence MOs, and one-centre calculation of Auger electron wavefunctions. The fluorine KVV spectrum of HF and the oxygen KVV spectrum of CO are calculated. Good agreement both with experiment and with previous calculations isobtained. The role of ligand electron density in calculation of Augerprobabilities is discussed.

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Documento generato il 26/11/20 alle ore 19:49:03