COULOMBIC POTENTIAL-ENERGY INTEGRALS AND APPROXIMATIONS

被引：885

作者：

WHITTEN, JL ^{[1
]}

机构：

[1] SUNY, DEPT CHEM, STONY BROOK, NY 11790 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 10期

关键词：

D O I：

10.1063/1.1679012

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：4496 / 4501

页数：6

相关论文

共 8 条

[1] LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS
BILLINGS.FP
BLOOR, JE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) : 5178 - &
[2] INTEGRAL APPROXIMATIONS FOR MOLECULAR ORBITAL THEORY
HARRIS, FE
REIN, R
[J]. THEORETICA CHIMICA ACTA, 1966, 6 (01): : 73 - &
[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .3. COMPARISON OF GAUSSIAN EXPANSION AND PDDO METHODS USING MINIMAL STO BASIS SETS
NEWTON, MD
LATHAN, WA
HEHRE, WJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) : 3927 - &
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .2. PROJECTION OF DIATOMIC DIFFERENTIAL OVERLAP (PDDO)
NEWTON, MD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) : 3917 - &
[5] PREUSS HW, 1962, INTEGRALTAFELN QUANT
[6] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY
ROOTHAAN, CCJ
[J]. REVIEWS OF MODERN PHYSICS, 1951, 23 (02) : 69 - 89
[7] USE OF ELECTROSTATIC VARIATION PRINCIPLES IN MOLECULAR ENERGY CALCULATIONS
SCHRADER, DM
PRAGER, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (07) : 1456 - &
[8] SLATER JC, 1960, QUATUM THEORY ATOMIC