DETERMINATION OF MOLECULAR-ORBITALS BY DIRECT MINIMIZATION OF GROUND-STATE ENERGY AND EXCITED-STATES OF MOLECULES

被引：3

作者：

BENARD, M ^{[1
]}

JULG, A ^{[1
]}

机构：

[1] FAC SCI MARSEILLE,LAB CHIM THEORIQUE,PL VICTOR HUGO,F-13 MARSEILLE,FRANCE

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 05期

关键词：

D O I：

10.1002/qua.560070509

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：945 / 950

页数：6

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[9] VARIATIONAL PROCEDURE FOR OPEN-SHELL LCAO MULTIDETERMINANT WAVEFUNCTIONS . AN APPROACH TO EXCITED-STATE PROBLEM [J].

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