APPLICABILITY OF A PSEUDOPOTENTIAL CI METHOD TO THE INVESTIGATION OF GROUND AND EXCITED-STATES OF MOLECULAR-SYSTEMS - NACO, LI2H, AL2 AND ALH

被引：41

作者：

PACCHIONI, G

机构：

来源：

THEORETICA CHIMICA ACTA | 1983年 / 62卷 / 05期

关键词：

D O I：

10.1007/BF00554315

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：461 / 475

页数：15

共 38 条

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[6] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
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[7] ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD
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[8] ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD .2. 1ST-ROW MOLECULES
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[J]. THEORETICA CHIMICA ACTA, 1977, 44 (01): : 61 - 76
[9] A CLUSTER MODEL OF THE CHEMISORPTION OF ATOMIC LI, O AND NA BY THE (111) SURFACE OF AL
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[10] DUNNING TH, 1977, METHODS ELECTRONIC S

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