EFFECTIVE HAMILTONIAN IN THE DIRAC-FOCK-ROOTHAAN SCF THEORY

被引：7

作者：

ISHIKAWA, Y

MALLI, GL

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 80卷 / 01期

关键词：

D O I：

10.1016/0009-2614(81)80068-1

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：111 / 113

页数：3

共 19 条

[1] RELATIVISTIC SELF-CONSISTENT-FIELD METHODS FOR MOLECULES .2. A SINGLE-DETERMINANT DIRAC-FOCK SELF-CONSISTENT-FIELD METHOD FOR CLOSED-SHELL POLYATOMIC-MOLECULES [J].

AOYAMA, T ;

YAMAKAWA, H ;

MATSUOKA, O .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (03) :1329-1333

[2] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J].

BONIFACIC, V ;

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2779-2786

[3] ON THE INTERACTION OF 2 ELECTRONS [J].

BROWN, GE ;

RAVENHALL, DG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 208 (1095) :552-559

[4] VARIATIONAL STABILITY IN DIRAC-HARTREE-FOCK THEORY [J].

DATTA, SN .

CHEMICAL PHYSICS LETTERS, 1980, 74 (03) :568-572

[5] SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY [J].

DAVIDSON, ER .

CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :565-567

[6]

DAVIDSON ER, 1976, INT J QUANTUM CHEM S, V10, P21

[7]

Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X

[8] THEORY OF SEPARABILITY OF MANY-ELECTRON SYSTEMS [J].

HUZINAGA, S ;

CANTU, AA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (12) :5543-&

[9] HAMILTONIAN FOR THE ORBITALS OF GENERAL MULTICONFIGURATIONAL SELF-CONSISTENT FIELD WAVE-FUNCTIONS [J].

ISHIKAWA, Y ;

SCHWARZ, WHE .

THEORETICA CHIMICA ACTA, 1980, 55 (03) :243-250

[10]

ISHIKAWA Y, UNPUBLISHED

← 1 2 →