SPHERICAL GAUSSIAN-BASIS SETS IN RELATIVISTIC QUANTUM-CHEMISTRY

被引：24

作者：

MALLI, G

机构：

[1] Department of Chemistry, Simon Fraser University, Burnaby

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 68卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(79)87253-X

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：

A formalism has been developed so that spherical gaussian basis sets can be used for the calculation of relativistic Hartree-Fock wavefunctions for atomic systems. Results are presented for the point nucleus Xe atom. © 1979.

引用

页码：529 / 531

页数：3

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[9]

OOHATA K, 1974, MEM FAC SC KYUSUH B, V5, P7

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