USE OF GAUSSIAN FUNCTIONS IN CALCULATION OF WAVEFUNCTIONS FOR SMALL MOLECULES .2. AMMONIA MOLECULE

被引:70
作者
REEVES, CM
HARRISON, MC
机构
关键词
D O I
10.1063/1.1733984
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:11 / &
相关论文
共 10 条
[1]  
BOYS SF, TO BE PUBLISHED
[2]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[3]   GROUND STATE SCF-LCAO-MO WAVE FUNCTION FOR CARBONYL SULFIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (03) :750-&
[4]   ELECTRONIC STRUCTURE OF AMMONIA [J].
DUNCAN, ABF .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :423-429
[5]   SELF-CONSISTENT FIELD, WITH EXCHANGE, FOR NITROGEN AND SODIUM [J].
HARTREE, DR ;
HARTREE, W .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1948, 193 (1034) :299-304
[6]   STUDY OF THE ELECTRONIC GROUND STATE OF THE AMMONIA MOLECULE [J].
KAPLAN, H .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (06) :1704-1713
[7]   APPROXIMATE HARTREE-FOCK CALCULATIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
NESBET, RK .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (06) :1518-&