EFFICIENT FORMULAS FOR MOLECULAR INTEGRALS OVER THE HILLER-SUCHER-FEINBERG IDENTITY USING CARTESIAN GAUSSIAN FUNCTIONS - TOWARDS THE IMPROVEMENT OF SPIN-DENSITY CALCULATIONS

被引：19

作者：

MOMOSE, T

SHIDA, T

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 05期

关键词：

D O I：

10.1063/1.453071

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：2832 / 2846

页数：15

相关论文

共 28 条

[1] NEW APPROACH TO HYPERFINE-STRUCTURE - APPLICATION TO THE LI GROUND-STATE
BHATIA, AK
SUCHER, J
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1980, 13 (13) : L409 - L413
[2] BLINDER SM, 1965, ADVANCES QUANTUM CHE, V2, P47
[3] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM
BOYS, SF
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063): : 542 - 554
[4] Davidson E, 1976, REDUCED DENSITY MATR
[5] DAVIS PJ, 1975, METHODS NUMERICAL IN
[6] CUSPED GAUSSIAN WAVE-FUNCTIONS SPIN-DENSITIES IN LI AND LIH+
DYER, S
STEINER, E
[J]. MOLECULAR PHYSICS, 1986, 59 (05) : 1027 - 1034
[7] HYPERVIRIAL THEOREMS FOR VARIATIONAL WAVE FUNCTIONS
EPSTEIN, ST
HIRSCHFELDER, JO
[J]. PHYSICAL REVIEW, 1961, 123 (04): : 1495 - &
[8] DIFFICULTIES IN ABINITIO CI CALCULATIONS OF THE HYPERFINE-STRUCTURE OF SMALL RADICALS
FELLER, D
DAVIDSON, ER
[J]. THEORETICA CHIMICA ACTA, 1985, 68 (01): : 57 - 67
[9] POLYNOMIAL RADIAL FUNCTIONS FOR ATOMIC WAVEFUNCTIONS
GIMARC, BM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) : 373 - &
[10] USE OF THE HILLER-SUCHER-FEINBERG IDENTITY FOR SPIN-DENSITY CALCULATIONS
HARRIMAN, JE
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (04) : 689 - 695