PARAMETRIZATION OF A HEITLER-LONDON VALENCE BOND HAMILTONIAN FROM COMPLETE-ACTIVE-SPACE SELF-CONSISTENT-FIELD COMPUTATIONS - AN APPLICATION TO CHEMICAL-REACTIVITY

被引：64

作者：

BERNARDI, F ^{[1
]}

OLIVUCCI, M ^{[1
]}

MCDOUALL, JJW ^{[1
]}

ROBB, MA ^{[1
]}

机构：

[1] UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND

来源：

关键词：

D O I：

10.1063/1.455404

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：6365 / 6375

页数：11

共 24 条

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