2-CENTER OVERLAP INTEGRALS INVOLVING MIXED SLATER-GAUSSIAN ORBITALS

被引:1
作者
LO, BWN
CABLE, RJR
CARLSEN, NR
机构
[1] AVONDALE COLL, DEPT PHYS SCI, COORANBONG 2265, NEW S WALES, AUSTRALIA
[2] UNIV NEWCASTLE, DEPT CHEM, NEWCASTLE 2308, NEW S WALES, AUSTRALIA
关键词
D O I
10.1016/0009-2614(74)85408-4
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:252 / 255
页数:4
相关论文
共 10 条
[1]  
ABRAMOWITZ M, 1965, HDB MATHEMATICAL FUN
[2]   MIXED BASIS FUNCTIONS IN MOLECULAR QUANTUM-MECHANICS .1. COMPUTATIONAL METHODS AND A PRELIMINARY STUDY OF HELIUM ATOM [J].
BACSKAY, GB ;
LINNETT, JW .
THEORETICA CHIMICA ACTA, 1972, 26 (01) :1-&
[3]  
DACRE PD, 1971, CHEM PHYS LETT, V8, P625, DOI 10.1016/0009-2614(71)80110-0
[4]   2-CENTER COULOMB INTEGRALS [J].
GELLER, M .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (12) :4006-&
[5]   2-CENTER INTEGRALS OVER SOLID SPHERICAL HARMONICS [J].
GELLER, M .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (01) :84-&
[6]   Multicenter integrals via Gaussian expanseon of Slater-orbital products [J].
Monkhorst, Hendrik J. ;
Harris, Frank E. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (07) :537-539
[7]   GAUSSIAN EXPANSIONS OF ATOMIC ORBITALS [J].
OOHATA, K ;
TAKETA, H ;
HUZINAGA, S .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1966, 21 (11) :2306-&
[8]   LINEAR SYMMETRICAL H3 - A CI FUNCTION BASED ON STOS ENLARGED WITH GAUSSIAN FUNCTIONS [J].
RIERA, A ;
LINNETT, JW .
THEORETICA CHIMICA ACTA, 1970, 18 (04) :265-&
[9]   GAUSSIAN-EXPANSION METHODS FOR MOLECULAR INTEGRALS [J].
TAKETA, H ;
HUZINAGA, S ;
OOHATA, K .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1966, 21 (11) :2313-&
[10]   STUDY OF 2-CENTER INTEGRALS USEFUL IN CALCULATIONS ON MOLECULAR STRUCTURE .5. GENERAL METHODS FOR DIATOMIC INTEGRALS APPLICABLE TO DIGITAL COMPUTERS [J].
WAHL, AC ;
ROOTHAAN, CC ;
CADE, PE .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2578-&