CI + BK EXTRAPOLATION METHOD - APPLICATION TO HYDROGEN-FLUORIDE

被引：22

作者：

DUNNING, TH

机构：

来源：

CHEMICAL PHYSICS | 1979年 / 42卷 / 03期

关键词：

D O I：

10.1016/0301-0104(79)80072-5

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：249 / 258

页数：10

相关论文

共 25 条

[1] BAGUS PS, 1973, COMPUTATIONAL METHOD, P87
[2] STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES
BENDER, CF
DAVIDSON, ER
[J]. PHYSICAL REVIEW, 1969, 183 (01): : 23 - &
[3] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 217 - 228
[4] Davidson E, 1976, REDUCED DENSITY MATR
[5] LOW-LYING STATES OF HYDROGEN-FLUORIDE - POTENTIAL-ENERGY CURVES FOR X1SIGMA+, 3SIGMA+, 3-PI AND 1-PI STATES
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) : 3854 - 3862
[6] 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 - &
[7] DUNNING TH, 1977, METHODS ELECTRONIC S
[8] ELECTRONIC PROPERTIES OF CH4 BY CL COMPUTATIONS
EBERHARD.JJ
MOCCIA, R
ZANDOMEN.M
[J]. CHEMICAL PHYSICS LETTERS, 1974, 24 (04) : 524 - 526
[9] Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751
[10] CALCULATION OF NATURAL ORBITALS BY PERTURBATION-THEORY
HAY, PJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) : 2468 - 2476