ON CALCULATION OF SPIN DENSITIES

被引：24

作者：

HARRIS, FE

机构：

来源：

MOLECULAR PHYSICS | 1966年 / 11卷 / 03期

关键词：

D O I：

10.1080/00268976600101081

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

收藏

页码：243 / &

相关论文

共 15 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[2]

DICKE RH, 1960, INTRO QUANTUM MECHAN, pCH9

[3] NATURAL EXPANSION OF FIRST-ORDER DENSITY MATRIX FOR SPIN-PROJECTED SINGLE DETERMINANT [J].

HARRIMAN, JE .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (10) :2827-&

[4]

HARRIS FE, UNPUBLISHED WORK

[5]

HARRIS FE, IN PRESS

[6]

KOTANI M, 1955, TABLE MOLECULAR INTE

[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] BAND THEORY, VALENCE BOND, AND TIGHT-BINDING CALCULATIONS [J].

LOWDIN, PO .

JOURNAL OF APPLIED PHYSICS, 1962, 33 (01) :251-+

[9] STUDIES ON ALTERNANT MOLECULAR ORBITAL METHOD .4. GENERALIZATION OF METHOD TO STATES WITH DIFFERENT MULTIPLICITIES [J].

PAUNCZ, R .

JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (12) :2739-&

[10] STUDIES ON ALTERNANT MOLECULAR ORBITAL METHOD .1. GENERAL ENERGY EXPRESSION FOR AN ALTERNANT SYSTEM WITH CLOSED-SHELL STRUCTURE [J].

PAUNCZ, R ;

HEER, JD ;

LOWDIN, PO .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (09) :2247-&