ELECTRONIC POPULATION ANALYSIS OF MOLECULAR WAVEFUNCTIONS

被引：350

作者：

DAVIDSON, ER

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1967年 / 46卷 / 09期

关键词：

D O I：

10.1063/1.1841219

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：

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页码：3320 / &

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[1] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
SALES, KD
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1973 - &
[2] ELECTRONIC STRUCTURE OF CO AND BF
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) : 624 - &
[3] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .1. PHYSICAL INTERPRETATIONS BY MEANS OF DENSITY MATRICES, NATURAL SPIN-ORBITALS, AND CONVERGENCE PROBLEMS IN THE METHOD OF CONFIGURATIONAL INTERACTION
LOWDIN, PO
[J]. PHYSICAL REVIEW, 1955, 97 (06): : 1474 - 1489
[4] ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
LOWDIN, PO
[J]. JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (03) : 365 - 375
[5] SOME RECENT ADVANCES IN DENSITY MATRIX THEORY
MCWEENY, R
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 335 - 369
[6] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840
[7] STUDIES IN MOLECULAR STRUCTURE .2. LCAO-MO-SCF WAVE FUNCTIONS FOR SELECTED 1ST-ROW DIATOMIC MOLECULES
RANSIL, BJ
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 245 - 254