DIRECT INVERSION IN THE ITERATIVE SUBSPACE (DIIS) OPTIMIZATION OF OPEN-SHELL, EXCITED-STATE, AND SMALL MULTICONFIGURATION SCF WAVE-FUNCTIONS

被引：120

作者：

HAMILTON, TP

PULAY, P

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 84卷 / 10期

关键词：

D O I：

10.1063/1.449880

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：5728 / 5734

页数：7

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