COMPARISON OF USE OF 3D POLARIZATION FUNCTIONS AND BOND FUNCTIONS IN GAUSSIAN HARTREE-FOCK CALCULATIONS

被引：36

作者：

VLADIMIROFF, T ^{[1
]}

机构：

[1] FELTMAN RES LAB, PROPELLANTS DIV, PICATINNY ARSENAL, DOVER, NJ 07801 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1973年 / 77卷 / 16期

关键词：

D O I：

10.1021/j100635a013

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：1983 / 1985

页数：3

相关论文

共 50 条

[21] Z EXPANSION OF HARTREE-FOCK WAVE FUNCTIONS
LAYZER, D
PHYSICAL REVIEW, 1963, 132 (02): : 735 - &
[22] MAGNETIC MOMENTS WITH HARTREE-FOCK WAVE FUNCTIONS
RIPKA, G
ZAMICK, L
PHYSICS LETTERS, 1966, 23 (06): : 347 - &
[23] Hartree-Fock polymer band-structure calculations with general atomic functions
Talman, JD
Fripiat, JG
Delhalle, J
PHYSICAL REVIEW B, 1997, 55 (04) : 2079 - 2088
[24] Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions
Bour, P
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2000, 21 (01) : 8 - 16
[25] A NOTE ON NON-ORTHOGONAL HARTREE-FOCK FUNCTIONS
COULSON, CA
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1965, 86 (554P): : 1371 - &
[26] PARTITION-FUNCTIONS OF NUCLEI IN HARTREE-FOCK APPROXIMATION
BANERJEE, B
CHITRE, SM
DATTA, B
PHYSICS LETTERS B, 1981, 101 (06) : 450 - 452
[27] RELATIVISTIC CORRECTION FOR ANALYTIC HARTREE-FOCK WAVE FUNCTIONS
HARTMANN, H
CLEMENTI, E
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A): : 1295 - &
[28] Polarization properties of KNbO3:: comparison between Hartree-Fock and density-functional calculations
Fu, L
Yaschenko, E
Resca, L
Resta, R
SOLID STATE COMMUNICATIONS, 1999, 112 (08) : 465 - 470
[29] COMPTON LINE SHAPES FOR HARTREE-FOCK WAVE FUNCTIONS
WEISS, RJ
HARVEY, A
PHILLIPS, WC
PHILOSOPHICAL MAGAZINE, 1968, 17 (146): : 241 - &
[30] BOND FUNCTIONS AND 3D POLARIZATION FUNCTIONS FOR FLUORINE BONDED MOLECULES
LAWLOR, L
VASUDEVAN, K
GREIN, F
CHEMICAL PHYSICS LETTERS, 1980, 75 (01) : 79 - 83

← 1 2 3 4 5 →