UNRESTRICTED HARTREE-FOCK SOLUTIONS FOR CLOSED-SHELL MOLECULES

被引:69
作者
KOUTECKY, J
机构
关键词
D O I
10.1063/1.1841058
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:2443 / &
相关论文
共 29 条
[1]   STABILITY OF HARTREE-FOCK STATES [J].
ADAMS, WH .
PHYSICAL REVIEW, 1962, 127 (05) :1650-&
[2]   SPIN DENSITIES IN SOME ODD ALTERNANT RADICALS INCLUDING LINEAR POLYENE RADICALS [J].
AMOS, AT ;
DAVISON, SG .
MOLECULAR PHYSICS, 1966, 10 (03) :261-&
[4]   SINGLE DETERMINANT WAVE FUNCTIONS [J].
AMOS, AT ;
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+
[5]  
BRICKSTOCK A, 1954, T FARADAY SOC, V50, P268
[6]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[7]  
DEHEER J, 1963, REV MOD PHYS, V35, P631
[8]   New Calculation of the Energy of Helium in the Ground-State, and the deepest Terms of Ortho-Helium [J].
Hylleraas, Egil A. .
ZEITSCHRIFT FUR PHYSIK, 1929, 54 (5-6) :347-366
[9]  
KAPLAN TA, 1966, B AM PHYS SOC, V11, P234
[10]   CONTRIBUTION TO THEORY OF ALTERNANT SYSTEMS [J].
KOUTECKY, J .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (10) :3702-&