ATOMIC AND MOLECULAR CORRELATION ENERGIES WITH EXPLICITLY CORRELATED GAUSSIAN GEMINALS .5. CARTESIAN GAUSSIAN GEMINALS AND THE NEON ATOM

被引：76

作者：

WENZEL, KB

ZABOLITZKY, JG

SZALEWICZ, K

JEZIORSKI, B

MONKHORST, HJ

机构：

[1] UNIV MINNESOTA, DEPT PHYS, MINNEAPOLIS, MN 55455 USA

[2] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA

[3] UNIV WARSAW, DEPT CHEM, PL-02093 WARSAW, POLAND

[4] UNIV FLORIDA, DEPT CHEM, QUANTUM THEORY PROJECT, GAINESVILLE, FL 32611 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 07期

关键词：

D O I：

10.1063/1.450918

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：3964 / 3974

页数：11

共 21 条

[1] ATOMIC AND MOLECULAR CORRELATION ENERGIES WITH EXPLICITLY CORRELATED GAUSSIAN GEMINALS .4. A SIMPLIFIED TREATMENT OF STRONG ORTHOGONALITY IN MBPT AND COUPLED CLUSTER CALCULATIONS
SZALEWICZ, K
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[2] Analytic first derivatives for explicitly correlated, multicenter, Gaussian geminals
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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 63 (05) : 991 - 999
[3] ATOMIC AND MOLECULAR CORRELATION ENERGIES WITH EXPLICITLY CORRELATED GAUSSIAN GEMINALS .3. COUPLED CLUSTER TREATMENT FOR HE, BE, H-2 AND LIH
JEZIORSKI, B
MONKHORST, HJ
SZALEWICZ, K
ZABOLITZKY, JG
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (01): : 368 - 388
[4] Explicitly-correlated Gaussian geminals in electronic structure calculations
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MOLECULAR PHYSICS, 2010, 108 (21-23) : 3091 - 3103
[5] EFFICIENT APPROXIMATIONS FOR A RAPID OPTIMIZATION OF EXPLICITLY CORRELATED GAUSSIAN GEMINALS
WENZEL, KB
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JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1987, 84 (05) : 691 - 694
[6] ATOMIC AND MOLECULAR CORRELATION ENERGIES WITH EXPLICITLY CORRELATED GAUSSIAN GEMINALS .1. 2ND-ORDER PERTURBATION TREATMENT FOR HE, BE, H-2 AND LIH
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JEZIORSKI, B
MONKHORST, HJ
ZABOLITZKY, JG
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (03): : 1420 - 1430
[7] INTRAATOMIC CORRELATION-EFFECTS FOR THE HE-HE DISPERSION AND EXCHANGE DISPERSION ENERGIES USING EXPLICITLY CORRELATED GAUSSIAN GEMINALS
RYBAK, S
SZALEWICZ, K
JEZIORSKI, B
JASZUNSKI, M
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (10): : 5652 - 5659
[8] GAUSSIAN GEMINALS APPLIED FOR MOLECULAR CORRELATION ENERGY CALCULATION
ADAMOWICZ, L
ACTA PHYSICA POLONICA A, 1978, 53 (03) : 471 - 477
[9] Gaussian geminals in explicitly correlated coupled cluster theory including single and double excitations
J Chem Phys, 9 (4165):
[10] ATOMIC AND MOLECULAR CORRELATION ENERGIES WITH EXPLICITLY CORRELATED GAUSSIAN GEMINALS .2. PERTURBATION TREATMENT THROUGH 3RD-ORDER FOR HE, BE, H2, AND LIH
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JEZIORSKI, B
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JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (11): : 5543 - 5552

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