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DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO DENSITY MATRIX FORMALISM .1. CLOSED AND OPEN-SHELL SYSTEMS

被引：25
作者：
POLEZZO, S [1 ]
机构：
[1] CNR,CTR RELAZIONI STRUTT & REATTIVITA CHIM,MILAN,ITALY
来源：
THEORETICA CHIMICA ACTA | 1975年 / 38卷 / 03期
关键词：
D O I：
10.1007/BF01125899
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：211 / 221
页数：11
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[8]   CONVERGENCE PROPERTIES OF DIRECT METHODS OF ENERGY MINIMIZATION WITH RESPECT TO LINEAR COEFFICIENTS IN LCAO-MO-SCF APPROACH [J].
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THEORETICA CHIMICA ACTA, 1974, 33 (03) :201-214
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