THE LOCAL CORRELATION TREATMENT .2. IMPLEMENTATION AND TESTS

被引：242

作者：

SAEBO, S ^{[1
]}

PULAY, P ^{[1
]}

机构：

[1] UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 03期

关键词：

D O I：

10.1063/1.454111

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：1884 / 1890

页数：7

相关论文

共 40 条

[1] Interaction of the van der Waals type between three atoms
Axilrod, BM
Teller, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1943, 11 (06) : 299 - 300
[2] REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .1. GROUND-STATES
BARTLETT, RJ
BRANDAS, EJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) : 5467 - +
[3] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM
BARTLETT, RJ
PURVIS, GD
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) : 561 - 581
[4] Boys S. F., 1968, QUANTUM THEORY ATOMS, P253
[5] VARIATION-PERTURBATION EXPANSIONS AND PADE APPROXIMANTS TO ENERGY
BRANDAS, E
GOSCINSKI, O
[J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 1 (03): : 552 - +
[6] AN EFFICIENT AND ACCURATE APPROXIMATION TO DOUBLE SUBSTITUTION COUPLED CLUSTER WAVEFUNCTIONS
CHILES, RA
DYKSTRA, CE
[J]. CHEMICAL PHYSICS LETTERS, 1981, 80 (01) : 69 - 72
[7] Cizek J., 1971, International Journal of Quantum Chemistry, V5, P359, DOI 10.1002/qua.560050402
[8] THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .9. OZONOLYSIS OF FLUOROALKENES
CREMER, D
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (13) : 3633 - 3638
[9] ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) : 87 - 94
[10] ENGLAND W, 1971, FORTSCHR CHEM FORSCH, V23, P31

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