ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS

被引：441

作者：

KAHN, LR

BAYBUTT, P

TRUHLAR, DG

机构：

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

[2] BATTELLE MEM INST, CHEM PHYS SECT, COLUMBUS, OH 43201 USA

[3] BATTELLE MEM INST, COLUMBUS, OH 43201 USA

[4] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 65卷 / 10期

关键词：

D O I：

10.1063/1.432900

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：3826 / 3853

页数：28

共 175 条

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