THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS

被引：945

作者：

DURAND, P ^{[1
]}

BARTHELAT, JC ^{[1
]}

机构：

[1] UNIV PAUL SABATIER,LAB PHYS QUANTIQUE,118 ROUTE NARBONNE,F-31077 TOULOUSE,FRANCE

来源：

THEORETICA CHIMICA ACTA | 1975年 / 38卷 / 04期

关键词：

D O I：

10.1007/BF00963468

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

收藏

页码：283 / 302

页数：20

相关论文

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[8] PSEUDOPOTENTIALS AND LOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE MOLECULE
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[J]. CHEMICAL PHYSICS LETTERS, 1972, 16 (01) : 63 - +
[9] PSEUDOPOTENTIAL AND DELOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE, ETHYLENE AND ACETYLENE MOLECULES
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