ITERATIVE QUADRATICALLY CONVERGENT ALGORITHM FOR SOLVING GENERAL HARTREE-FOCK-ROOTHAAN EQUATIONS

被引:14
作者
WESSEL, WR
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D O I
10.1063/1.1712385
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 ;
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页码:3253 / &
相关论文
共 4 条
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KUNZ KS, 1957, NUMERICAL ANALYSIS
[2]  
Roothaan C. C. J., 1963, METHODS COMPUTATIONA, VII
[3]   SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :179-185
[4]  
Wendroff B., 1966, THEORETICAL NUMERICA