CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS

被引：53

作者：

BANERJEE, A ^{[1
]}

GREIN, F ^{[1
]}

机构：

[1] UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTION,NEW BRUNSWICK,CANADA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1976年 / 10卷 / 01期

关键词：

D O I：

10.1002/qua.560100110

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：123 / 134

页数：12

共 21 条

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[3] SINGLE EXCITATIONS IN MULTI CONFIGURATION WAVEFUNCTIONS - GROUND-STATES OF ATOMS BERYLLIUM TO F [J].

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[5]

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[6] AB-INITIO MOLECULAR ORBITAL CALCULATIONS OF GROUND AND EXCITED STATES OF PERMANGANATE AND CHROMATE IONS [J].

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[7] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHOD [J].

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JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6424-6432

[8]

LEFEBRE R, 1959, CAH PHYS, V13, P1

[9]

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[10]

Lefebvre R., 1956, J CHIM PHYS PCB, V53, P393

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