MOMENTUM SPACE - A SPACE FOR THE CALCULATION AND ANALYSIS OF ELECTRONIC-STRUCTURE

被引：0
|
作者：
DEFRANCESCHI, M
DEWINDT, L
FRIPIAT, JG
DELHALLE, J
机构：
[1] FAC UNIV NOTRE DAME PAIX, CHIM THEOR APPL LAB, 61 BRUXELLES, B-5000 NAMUR, BELGIUM
[2] CENS, DSM, SERV PHYS ATOMES & SURFACES, F-91191 GIF SUR YVETTE, FRANCE
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1992年 / 90卷 / 1-2期
关键词：
D O I：
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中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Based on recent results, interest has been shown in the possibilities offered by momentum space for calculating and interpreting electronic structures. First, the structure of the Hartree-Fock equations and their algorithmic implications are discussed. Secondly, recent results obtained by application of one step of the variation-iteration method on atomic systems with one, two or four electrons are analysed. The ability of momentum space to reveal characteristics of wavefunctions is compared to that of position space for the same systems.
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页码：179 / 196
页数：18
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