FULL CI CALIBRATION OF MODEL HAMILTONIAN, LARGE BASIS SET STUDIES OF THE H2-H2 VANDER WAALS INTERACTION

被引：12

作者：

BURTON, PG

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 100卷 / 01期

关键词：

D O I：

10.1016/0009-2614(83)87261-3

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：51 / 58

页数：8

共 25 条

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[4]

BUCK U, UNPUB J CHEM PHYS

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BURTON, PG ;

GRAY, PD ;

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[6] THE (H-2)2 POTENTIAL SURFACE AND THE INTERACTION BETWEEN HYDROGEN MOLECULES AT LOW-TEMPERATURES [J].

BURTON, PG ;

SENFF, UE .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6073-6087

[7] ROUTES TO FULL CI THROUGH EXTRAPOLATION IN MULTIREFERENCE CONFIGURATION CALCULATIONS FOR ELECTRONIC-STRUCTURES [J].

BURTON, PG .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (02) :613-623

[8] COMPARISON OF PERTURBATIVELY CORRECTED MRD CI RESULTS WITH A FULL CI TREATMENT OF THE BH GROUND-STATE [J].

BURTON, PG ;

BUENKER, RJ ;

BRUNA, PJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1983, 95 (4-5) :379-385

[9] FULL CI EXTRAPOLATION COMPARED TO EXPLICIT FULL CI FOR H2O IN A DOUBLE-ZETA BASIS [J].

BURTON, PG ;

GRAY, PD .

CHEMICAL PHYSICS LETTERS, 1983, 96 (04) :453-457

[10]

BURTON PG, UNPUB

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