ANALYSIS OF SPACE CORRELATION FACTORS IN A MCSCF REPRESENTATION OF LIH AND LI2 MOLECULES

被引：18

作者：

BESSON, MA ^{[1
]}

SUARD, M ^{[1
]}

机构：

[1] ECOLE NORM SUPER JEUNES FILLES 1,LAB CHIM,RUE MAURICE ARNOUX,F-92120 MONTROUGE,FRANCE

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1976年 / 10卷 / 01期

关键词：

D O I：

10.1002/qua.560100113

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：

引用

页码：151 / 162

页数：12

共 18 条

[1]

[Anonymous], 1967, INT J QUANTUM CHEM

[2]

BERTONCINI PJ, COMMUNICATION

[3] COULOMB HOLE IN SOME EXCITED-STATES OF HELIUM [J].

BOYD, RJ ;

COULSON, CA .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (05) :782-793

[4] FERMI HOLE IN ATOMS [J].

BOYD, RJ ;

COULSON, CA .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1974, 7 (14) :1805-1816

[5] EXTENDED HARTREE-FOCK GROUND-STATE WAVEFUNCTIONS FOR LITHIUM MOLECULE [J].

DAS, G .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1568-&

[6]

LARSON EG, 1974, INT J QUANT CHEM S, V8, P49

[7] 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 [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1474-1489

[8] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .2. STUDY OF THE ORDINARY HARTREE-FOCK APPROXIMATION [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1490-1508

[9] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .3. EXTENSION OF THE HARTREE-FOCK SCHEME TO INCLUDE DEGENERATE SYSTEMS AND CORRELATION EFFECTS [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1509-1520

[10]

MASLEN CW, 1956, P PHYS SOC LONDON A, V69, P734

← 1 2 →