AB-INITIO CALCULATION OF HARMONIC FORCE CONSTANTS .7. RESULTS FROM SOME TWO-ELECTRON SCF WAVEFUNCTIONS

被引:2
作者
MACIAS, A
机构
关键词
D O I
10.1063/1.1678408
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:1364 / &
相关论文
共 5 条
[1]   AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .6. APPLICATION TO SCF WAVEFUNCTIONS [J].
BISHOP, DM ;
MACIAS, A .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (02) :999-&
[2]   ACCURATE ELECTRONIC WAVE FUNCTIONS FOR THE H-2 MOLECULE [J].
KOLOS, W ;
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :219-232
[4]   AB INITIO STUDIES OF SMALL MOLECULES USING 1S GAUSSIAN BASIS FUNCTIONS .I. EXPLORATORY CALCULATIONS [J].
SCHWARTZ, ME ;
SCHAAD, LJ .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :4112-&
[5]  
SWNSTROM P, 1971, MOL PHYS, V20, P1135