POPULATION ANALYSES OF VALENCE-BOND WAVEFUNCTIONS AND BEH2

被引：80

作者：

GALLUP, GA ^{[1
]}

NORBECK, JM ^{[1
]}

机构：

[1] UNIV NEBRASKA,DEPT CHEM,LINCOLN,NB 68508

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 21卷 / 03期

关键词：

D O I：

10.1016/0009-2614(73)80292-1

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：495 / 500

页数：6

共 14 条

[1] THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .6. [J].

CHIRGWIN, BH ;

COULSON, CA .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 201 (1065) :196-209

[2] VALENCE-BOND CALCULATIONS AND MATRIX-ELEMENTS BETWEEN 2 TABLEAU FUNCTIONS OF NON-ORTHOGONAL ORBITALS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (05) :899-&

[3] N-ELECTRON PROBLEM AND MATRICES REPRESENTING SYMMETRIC GROUPS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (04) :761-&

[4]

GALLUP GA, TO BE PUBLISHED

[5]

HARRIS FE, 1967, INT J QUANTUM CHEM S, V1, P829

[6] ELECTRONIC STRUCTURE OF METHYLENE [J].

HARRISON, JF ;

ALLEN, LC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) :807-&

[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]

LOWDIN PO, 1947, ARK MAT FYS ASTR A, V35, P9, DOI DOI 10.1007/978-1-4757-1659-7_2

[9]

LOWDIN PO, 1958, C INT CTR NATL RECH, V82, P23

[10] VALENCE-BOND STUDIES OF AH2 MOLECULES .1. BEH2 [J].

MACLAGAN, RG ;

SCHNUELLE, GW .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (12) :5431-+

← 1 2 →