FINITE-FIELD METHOD CALCULATIONS OF MOLECULAR POLARIZABILITIES .1. THEORETICAL BASIS AND LIMITATIONS OF SCF AND GALERKIN TREATMENTS

被引：64

作者：

GREADY, JE ^{[1
]}

BACSKAY, GB ^{[1
]}

HUSH, NS ^{[1
]}

机构：

[1] UNIV SYDNEY,DEPT THEORET CHEM,SYDNEY 2006,NEW S WALES,AUSTRALIA

来源：

CHEMICAL PHYSICS | 1977年 / 22卷 / 01期

关键词：

D O I：

10.1016/0301-0104(77)85217-8

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：141 / 150

页数：10

相关论文

共 27 条

[1] MOLECULAR POLARIZABILITIES AND SUSCEPTIBILITIES FROM FROST-MODEL WAVEFUNCTIONS
AMOS, AT
YOFFE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (11) : 4723 - 4729
[2] ELECTRIC AND MAGNETIC PROPERTIES OF LIH MOLECULE ACCORDING TO HARTREE-FOCK PERTURBATION THEORY
ARRIGHINI, GP
TOMASI, J
PETRONGO.C
[J]. THEORETICA CHIMICA ACTA, 1970, 18 (04): : 341 - +
[3] BACSKAY GB, UNPUBLISHED WORK
[4] MOLECULAR HYPERPOLARISABILITIES
BUCKINGH.AD
ORR, BJ
[J]. QUARTERLY REVIEWS, 1967, 21 (02): : 195 - &
[5] ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS
COHEN, HD
ROOTHAAN, CC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S034 - +
[6] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (08) : 3958 - &
[9] OPTICAL PROPERTIES OF ATOMS AND DIATOMIC MOLECULES CALCULATED BY A TIME-DEPENDENT COUPLED HARTREE-FOCK METHOD
EPSTEIN, IR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) : 1881 - &
[10] GOUTIER D, PHANTOM QUANTUM CHEM