THEORY FOR EXTERNALLY CONTRACTED CONFIGURATION-INTERACTION ENERGY GRADIENTS

被引：13

作者：

LEE, TJ ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

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

关键词：

D O I：

10.1063/1.453070

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

页码：2825 / 2831

页数：7

共 50 条

[1] ANALYTICAL EVALUATION OF ENERGY GRADIENTS IN QUADRATIC CONFIGURATION-INTERACTION THEORY
GAUSS, J
CREMER, D
CHEMICAL PHYSICS LETTERS, 1988, 150 (3-4) : 280 - 286
[2] ANALYTICAL ENERGY GRADIENTS IN MOLLER-PLESSET PERTURBATION AND QUADRATIC CONFIGURATION-INTERACTION METHODS - THEORY AND APPLICATION
GAUSS, J
CREMER, D
ADVANCES IN QUANTUM CHEMISTRY, 1992, 23 : 205 - 299
[3] AN EFFICIENT INTERNALLY CONTRACTED MULTICONFIGURATION REFERENCE CONFIGURATION-INTERACTION METHOD
WERNER, HJ
KNOWLES, PJ
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (09) : 5803 - 5814
[4] APPROXIMATING FULL CONFIGURATION-INTERACTION WITH SELECTED CONFIGURATION-INTERACTION AND PERTURBATION-THEORY
HARRISON, RJ
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (07) : 5021 - 5031
[5] DERIVATIVE STUDIES IN CONFIGURATION-INTERACTION THEORY
KRISHNAN, R
SCHLEGEL, HB
POPLE, JA
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) : 4654 - 4655
[6] PSEUDOSPECTRAL CONTRACTED CONFIGURATION-INTERACTION FROM A GENERALIZED VALENCE-BOND REFERENCE
MURPHY, RB
FRIESNER, RA
RINGNALDA, MN
GODDARD, WA
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (04) : 2986 - 2994
[7] Combination of perturbation theory with the configuration-interaction method
Kozlov, M. G.
Tupitsyn, I. I.
Bondarev, A., I
Mironova, D., V
PHYSICAL REVIEW A, 2022, 105 (05)
[8] CORRECTION OF CONFIGURATION-INTERACTION WAVEFUNCTIONS BY PERTURBATION THEORY
ADAMS, WH
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (09) : 3422 - &
[9] RELATIVISTIC CONFIGURATION-INTERACTION THEORY FOR ATOMIC SYSTEMS
KAGAWA, T
HONDA, Y
KIYOKAWA, S
PHYSICAL REVIEW A, 1991, 44 (11): : 7092 - 7107
[10] CONFIGURATION-AVERAGE ENERGY SHIFT OWING TO CONFIGURATION-INTERACTION
OREG, J
GOLDSTEIN, WH
BARSHALOM, A
KLAPISCH, M
PHYSICAL REVIEW A, 1989, 39 (09): : 4599 - 4609

← 1 2 3 4 5 →