DETERMINATION OF ACCURATE SINGLE-CENTER EXPANSIONS WITH SLATER-TYPE ORBITALS - H3 SYSTEM

被引:7
作者
HAYES, EF
PARR, RG
机构
关键词
D O I
10.1063/1.1701559
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:3961 / &
相关论文
共 34 条
[1]   USE OF NUCLEAR ATTRACTION INTEGRAL APPROXIMATIONS IN MOLECULAR QUANTUM MECHANICS [J].
BARKER, RS ;
EYRING, H .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (07) :1182-1188
[2]   USE OF ELECTRON REPULSION INTEGRAL APPROXIMATIONS IN MOLECULAR QUANTUM MECHANICS [J].
BARKER, RS ;
EYRING, H ;
THORNE, CJ ;
BAKER, DA .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (04) :699-702
[3]  
BOYS GB, 1956, NATURE, V178, P1207
[4]  
Boys S. F., 1959, WISAF13 U WISC NAV R
[5]   QUANTUM MECHANICS OF H3 COMPLEX - DIFFERENT ORBITALS FOR DIFFERENT SPINS [J].
BRADLEY, JN .
TRANSACTIONS OF THE FARADAY SOCIETY, 1964, 60 (5008) :1353-&
[6]   BARRIER TO INTERNAL ROTATION IN ETHANE [J].
CLEMENTI, E ;
DAVIS, DR .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2593-+
[7]   ENERGY SURFACE FOR LINEAR H3 SYSTEM [J].
CONROY, H ;
BRUNER, BL .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (11) :4047-&
[8]   MOLECULAR SCHRODINGER EQUATION .6. RESULTS FOR H3 AND OTHER SIMPLE SYSTEMS [J].
CONROY, H ;
BRUNER, BL .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03) :921-&
[9]   MOLECULAR SCHRODINGER EQUATION .4. RESULTS FOR 1- + 2-ELECTRON SYSTEMS [J].
CONROY, H .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) :1341-&
[10]   SINGLE-CENTER WAVEFUNCTIONS FOR H3+ AND H3 [J].
CONSIDINE, JP ;
HAYES, EF .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1119-+