AN APPROXIMATE HESSIAN FOR MOLECULAR-GEOMETRY OPTIMIZATION

被引：128

作者：

HEAD, JD

ZERNER, MC

机构：

[1] UNIV GUELPH,GUELPH WATERLOO CTR GRAD WORK CHEM,DEPT CHEM,GUELPH N1G 2W1,ONTARIO,CANADA

[2] UNIV FLORIDA,DEPT CHEM,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 131卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(86)87166-4

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：359 / 366

页数：8

共 26 条

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