CAS SCF AND CONTRACTED CI CALCULATIONS ON THE HO3 RADICAL

被引：46

作者：

MATHISEN, KB ^{[1
]}

SIEGBAHN, PEM ^{[1
]}

机构：

[1] UNIV STOCKHOLM,INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

来源：

CHEMICAL PHYSICS | 1984年 / 90卷 / 03期

关键词：

D O I：

10.1016/0301-0104(84)85321-5

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：225 / 230

页数：6

共 11 条

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[8] THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE [J].

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[10]

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