SYMMETRY DILEMMAS IN AB-INITIO SCF STUDIES OF ALLYL RADICAL AND ETHYLENE

被引:43
作者
MCKELVEY, JM
BERTHIER, G
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA
[2] ECOLE NORM SUPER JEUNES FILLES,CHIM LAB,F-92120 MONTROUGE,FRANCE
[3] INST BIOL PHYSICO CHIM,BIOCHIM THEORIQUE LAB,F-75005 PARIS,FRANCE
关键词
D O I
10.1016/0009-2614(76)85397-3
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:476 / 481
页数:6
相关论文
共 36 条
[1]  
ADAMS WH, 1963, PHYS REV, V127, P1650
[2]   EXAMPLES OF KNOWN SCF PROCEDURES WHICH DO NOT SATISFY ALL NECESSARY CONDITIONS FOR ENERGY TO BE STATIONARY [J].
ALBAT, R ;
GRUEN, N .
CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :572-573
[3]  
BERTHIER G, 1954, CR HEBD ACAD SCI, V238, P91
[5]  
BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701
[7]  
CARSKY P, COMMUNICATION
[8]  
CIZEK J, 1970, J CHEM PHYS, V53, P821, DOI 10.1063/1.1674065
[9]  
CIZEK J, 1967, J CHEM PHYS, V47, P3976