MCSCF AND MULTI-REFERENCE CI CALCULATIONS OF THE POTENTIAL-ENERGY SURFACE FOR GROUND-STATE H2O

被引：29

作者：

KRAEMER, WP

ROOS, BO

SIEGBAHN, PEM

机构：

[1] CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN

[2] INST THEORET PHYS,VANADISVAGEN 9,S-11346 STOCKHOLM,SWEDEN

来源：

CHEMICAL PHYSICS | 1982年 / 69卷 / 03期

关键词：

D O I：

10.1016/0301-0104(82)88070-1

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：305 / 321

页数：17

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