ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS .2. ALL-ELECTRON COMPARISONS AND MODIFICATIONS OF PROCEDURE

被引：75

作者：

HAY, PJ ^{[1
]}

WADT, WR ^{[1
]}

KAHN, LR ^{[1
]}

机构：

[1] BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 68卷 / 07期

关键词：

D O I：

10.1063/1.436172

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：3059 / 3066

页数：8

共 16 条

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[8] FE AND NI AB-INITIO EFFECTIVE POTENTIALS FOR USE IN MOLECULAR CALCULATIONS [J].

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