QUASIDEGENERATE VARIATIONAL PERTURBATION-THEORY AND THE CALCULATION OF 1ST-ORDER PROPERTIES FROM VARIATIONAL PERTURBATION-THEORY WAVE-FUNCTIONS

被引：90

作者：

CAVE, RJ ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 89卷 / 11期

关键词：

D O I：

10.1063/1.455354

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：6798 / 6814

页数：17

共 53 条

[1] A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY [J].

BAKER, H ;

ROBB, MA .

MOLECULAR PHYSICS, 1983, 50 (05) :1077-1082

[2] THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATE [J].

BANERJEE, A ;

SIMONS, J .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (02) :207-216

[3] APPLICATIONS OF MULTICONFIGURATIONAL COUPLED-CLUSTER THEORY [J].

BANERJEE, A ;

SIMONS, J .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (09) :4548-4559

[4] MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].

BARTLETT, RJ .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401

[5] FULL CI BENCHMARK CALCULATIONS FOR MOLECULAR-PROPERTIES [J].

BAUSCHLICHER, CW ;

TAYLOR, PR .

THEORETICA CHIMICA ACTA, 1987, 71 (04) :263-276

[6] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON HF AND NH2 [J].

BAUSCHLICHER, CW ;

LANGHOFF, SR ;

TAYLOR, PR ;

HANDY, NC ;

KNOWLES, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (03) :1469-1474

[7] A FULL CL TREATMENT OF THE 1A1, 1B1, AND 3B1 STATES OF SIH2 [J].

BAUSCHLICHER, CW ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (03) :1420-1424

[8] A FULL CL TREATMENT OF THE 1A1-3B1 SEPARATION IN METHYLENE [J].

BAUSCHLICHER, CW ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6510-6512

[9] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&

[10]

BETHE HA, 1957, QUANTUM MECHANICS ON, P122

← 1 2 3 4 5 6 →