ON THE OPTIMIZATION OF GAUSSIAN-BASIS SETS FOR HARTREE-FOCK-DIRAC CALCULATIONS

被引：37

作者：

AERTS, PJC ^{[1
]}

NIEUWPOORT, WC ^{[1
]}

机构：

[1] STATE UNIV GRONINGEN,CTR MAT SCI,9747 AG GRONINGEN,NETHERLANDS

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 125卷 / 01期

关键词：

D O I：

10.1016/0009-2614(86)85160-0

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：83 / 90

页数：8

相关论文

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[2] AERTS PJC, UNPUB INT J QUANTUM
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[4] DRAKE GWF, 1981, PHYS REV A, V23, P1093
[5] THE DIRAC-EQUATION IN THE ALGEBRAIC-APPROXIMATION .2. EXTENDED BASIS SET CALCULATIONS FOR HYDROGENIC ATOMS
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[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (04) : 493 - 503
[7] DYALL KG, 1984, J PHYS B ATOM MOL PH, V17, P245
[8] EXPANSION METHODS FOR THE DIRAC-EQUATION
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) : 4333 - 4340
[9] VARIATIONAL METHOD FOR THE SOLUTION OF DIRAC-TYPE EQUATIONS
GAZDY, B
[J]. CHEMICAL PHYSICS LETTERS, 1983, 99 (01) : 41 - 44
[10] BASIS SET EXPANSION OF THE DIRAC OPERATOR WITHOUT VARIATIONAL COLLAPSE
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[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (01) : 107 - 129