A UNITARY-GROUP FORMULATION OF THE COMPLETE ACTIVE SPACE CONFIGURATION-INTERACTION METHOD .1. GENERAL FORMALISM

被引：10

作者：

GOULD, MD ^{[1
]}

CHANDLER, GS ^{[1
]}

机构：

[1] UNIV WESTERN AUSTRALIA, SCH ENDOCRINE RES, NEDLANDS, WA 6009, AUSTRALIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 07期

关键词：

D O I：

10.1063/1.455825

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：3680 / 3685

页数：6

共 35 条

[1] THE UNITARY-GROUP APPROACH IN CONFIGURATION-INTERACTION (CI) METHODS
ROBB, MA
NIAZI, U
COMPUTER PHYSICS REPORTS, 1984, 1 (3-4): : 127 - 236
[2] MATRIX ELEMENT FACTORIZATION IN THE UNITARY-GROUP APPROACH FOR CONFIGURATION-INTERACTION CALCULATIONS
PAYNE, PW
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (06) : 1085 - 1152
[3] SPIN-DEPENDENT UNITARY-GROUP APPROACH .1. GENERAL FORMALISM
GOULD, MD
PALDUS, J
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (12): : 7394 - 7401
[4] MULTI-REFERENCE CONFIGURATION-INTERACTION CALCULATIONS BY THE GRAPHICAL UNITARY-GROUP APPROACH
SHAVITT, I
BROWN, FB
LISCHKA, H
SHEPARD, R
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1982, 183 (MAR): : 71 - PHYS
[5] CONFIGURATION-INTERACTION CALCULATIONS BY THE GRAPHICAL UNITARY-GROUP APPROACH ON THE CRAY X-MP
SHAVITT, I
COMEAU, DC
PEPPER, MJ
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1987, 193 : 160 - PHYS
[6] NEW IMPLEMENTATION OF THE GRAPHICAL UNITARY-GROUP APPROACH FOR MULTI-REFERENCE DIRECT CONFIGURATION-INTERACTION CALCULATIONS
LISCHKA, H
SHEPARD, R
BROWN, FB
SHAVITT, I
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, : 91 - 100
[7] UNITARY-GROUP APPROACH (UGA) TO THE CONFIGURATION-INTERACTION (CL) PROBLEMS OF THE MANY-ELECTRON SYSTEMS - A GRAPHICAL FORMULA IN TERMS OF YOUNG TABLEAUS
LIN, HL
CAO, YF
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11): : 6325 - 6328
[8] COMPLETE ACTIVE-SPACE CONFIGURATION-INTERACTION WITH OPTIMIZED ORBITALS - APPLICATION TO LI2
EVANGELISTI, S
BENDAZZOLI, GL
GAGLIARDI, L
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, 55 (03) : 277 - 280
[9] THE RESTRICTED ACTIVE SPACE SELF-CONSISTENT-FIELD METHOD, IMPLEMENTED WITH A SPLIT GRAPH UNITARY-GROUP APPROACH
MALMQVIST, PA
RENDELL, A
ROOS, BO
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14): : 5477 - 5482
[10] SIZE EXTENSIVITY CORRECTION FOR COMPLETE ACTIVE SPACE MULTICONFIGURATION SELF-CONSISTENT-FIELD CONFIGURATION-INTERACTION ENERGIES
SIMONS, J
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (02): : 626 - 627

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