TEST FOR BASIS-SET ERRORS IN RELATIVISTIC DIRAC-FOCK-SLATER CALCULATIONS WITH A NUMERICAL AO-DFS-BASIS

被引：3

|

作者：

SEPP, WD

FRICKE, B

机构：

来源：

PHYSICA SCRIPTA | 1987年 / 36卷 / 02期

关键词：

D O I：

10.1088/0031-8949/36/2/014

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

收藏

页码：268 / 270

页数：3

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[1] IMPLICIT PROJECTION OPERATORS IN BASIS-SET EXPANSIONS OF THE MOLECULAR DIRAC-FOCK-SLATER PROBLEM
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[4] RELATIVISTIC BASIS-SET CALCULATIONS FOR ATOMS WITH FERMI NUCLEI
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[7] UNIVERSAL GAUSSIAN-BASIS SET FOR ACCURATE ABINITIO RELATIVISTIC DIRAC-FOCK CALCULATIONS
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[8] Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations
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[9] BASIS-SET SUPERPOSITION ERRORS FOR SLATER VS GAUSSIAN-BASIS FUNCTIONS IN H-BOND INTERACTIONS
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GHIO, C
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 330 : 77 - 83
[10] VARIATIONAL BOUNDS IN DIRAC-FOCK BASIS SET EXPANSION CALCULATIONS
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