UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED GAUSSIAN PRIMITIVE FUNCTIONS IN ELECTRONIC CORRELATION STUDIES

被引:57
作者
WILSON, S [1 ]
机构
[1] SRC, DARESBURY LAB, WARRINGTON WA4 4AD, LANCASHIRE, ENGLAND
来源
THEORETICA CHIMICA ACTA | 1980年 / 58卷 / 01期
关键词
D O I
10.1007/BF00635721
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:31 / 40
页数:10
相关论文
共 29 条
[2]   EVEN-TEMPERED ATOMIC ORBITALS .3. ECONOMIC DEPLOYMENT OF GAUSSIAN PRIMITIVES IN EXPANDING ATOMIC SCF ORBITALS [J].
BARDO, RD ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5956-5965
[3]   EVEN-TEMPERED ATOMIC ORBITALS .6. OPTIMAL ORBITAL EXPONENTS AND OPTIMAL CONTRACTIONS OF GAUSSIAN PRIMITIVES FOR HYDROGEN, CARBON, AND OXYGEN IN MOLECULES [J].
BARDO, RD ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (03) :918-931
[4]   EVEN-TEMPERED ATOMIC ORBITALS .4. ATOMIC ORBITAL BASES WITH PSEUDOSCALING CAPABILITY FOR MOLECULAR CALCULATIONS [J].
BARDO, RD ;
RUEDENBERG, K .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5966-5977
[5]   SYSTEMATIC-APPROACH TO EXTENDED EVEN-TEMPERED ORBITAL BASES FOR ATOMIC AND MOLECULAR CALCULATIONS [J].
FELLER, DF ;
RUEDENBERG, K .
THEORETICA CHIMICA ACTA, 1979, 52 (03) :231-251
[6]  
GUEST MF, 1976, ATMOL3 USER MANUALS
[7]  
HARTREE DR, 1948, P CAMBRIDGE PHILOS S, V45, P230
[8]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622
[9]  
POPLE JA, 1976, INT J QUANTUM CHEM, P1
[10]  
RAFFENET.RC, 1973, J CHEM PHYS, V58, P4452, DOI 10.1063/1.1679007