HELLMANN-FEYNMAN THEOREM FOR OPEN-SHELL AND MULTICONFIGURATION SCF WAVE-FUNCTIONS

被引:4
作者
YURTSEVER, E
HINZE, J
机构
关键词
D O I
10.1063/1.438423
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:1511 / 1511
页数:1
相关论文
共 14 条
[11]   RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS [J].
MCIVER, JW ;
KOMORNICKI, A .
CHEMICAL PHYSICS LETTERS, 1971, 10 (03) :303-+
[12]  
Pauli W, 1933, HDB PHYSIK, P83, DOI DOI 10.1007/978-3-642-61287-9_2
[13]   NEW ALGORITHM FOR MOLECULAR-GEOMETRY OPTIMIZATION WITH ILLUSTRATIVE APPLICATION TO METHYLAMINE [J].
PAYNE, PW .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (05) :1920-1926
[14]   HELLMANN-FEYNMAN THEOREM AND CORRELATION ENERGIES [J].
STANTON, RE .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (05) :1298-&