COMPUTATION OF MOLECULAR PROPERTIES AND STRUCTURE

被引：203
作者：
MCLEAN, AD
YOSHIMIN.M
机构：
来源：
IBM JOURNAL OF RESEARCH AND DEVELOPMENT | 1968年 / 12卷 / 03期
关键词：
D O I：
10.1147/rd.123.0206
中图分类号：
TP3 [计算技术、计算机技术];
学科分类号：
0812 ;
摘要：
引用
收藏
页码：206 / &
相关论文
共 53 条
[1]   CORRELATION ENERGY AND MOLECULAR PROPERTIES OF HYDROGEN FLUORIDE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :360-&
[2]   CORRELATION ENERGY IN ATOMIC SYSTEMS .4. DEGENERACY EFFECTS [J].
CLEMENTI, E ;
VEILLARD, A .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (08) :3050-&
[3]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .2. WAVEFUNCTIONS FOR NH3+HCL-]NH4CL REACTION [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3851-&
[4]  
CLEMENTI E, 1966, J CHEM PHYS, V15, P2595
[5]  
Corbato F. J., 1956, J CHEM PHYS, V24, P452, DOI DOI 10.1063/1.1742496
[6]   ATOMIC POLARIZABILITIES AND SHIELDING FACTORS [J].
DALGARNO, A .
ADVANCES IN PHYSICS, 1962, 11 (44) :281-315
[7]   EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&
[8]   VARIATIONAL APPROACH TO THE QUADRUPOLE POLARIZABILITY OF IONS [J].
DAS, TP ;
BERSOHN, R .
PHYSICAL REVIEW, 1956, 102 (03) :733-738
[9]   NUCLEAR QUADRUPOLE COUPLING IN POLAR MOLECULES [J].
FOLEY, HM ;
STERNHEIMER, RM ;
TYCKO, D .
PHYSICAL REVIEW, 1954, 93 (04) :734-742
[10]   QUANTUM THEORY OF VALENCE [J].
GIMARC, BM ;
PARR, RG .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1965, 16 :451-&
123456