GENERAL 2ND-ORDER MCSCF THEORY FOR LARGE CL EXPANSIONS

被引：133

作者：

LENGSFIELD, BH

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 08期

关键词：

D O I：

10.1063/1.444317

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

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页码：4073 / 4083

页数：11

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共 31 条

[1] A MULTICONFIGURATION SELF-CONSISTENT-FIELD FORMALISM UTILIZING THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
LAIDIG, WD
SAXE, P
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) : 3837 - 3838
[2] GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) : 5092 - 5106
[3] Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[4] OPTIMIZATION OF ORBITALS FOR MULTICONFIGURATIONAL REFERENCE STATES
DALGAARD, E
JORGENSEN, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (08) : 3833 - 3844
[5] A QUADRATICALLY CONVERGENT MCSCF SCHEME USING FOCK OPERATORS
DAS, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) : 5775 - 5779
[6] MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) THEORY FOR EXCITED-STATES
DAS, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (11) : 5104 - 5110
[7] LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI
DOCKEN, KK
HINZE, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) : 4928 - &
[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[9] ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS
DUPUIS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) : 5758 - 5765
[10] GENERAL 2ND ORDER MCSCF THEORY - A DENSITY-MATRIX DIRECTED ALGORITHM
LENGSFIELD, BH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) : 382 - 390

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