CAPABILITY OF PSEUDOPOTENTIAL METHODS TO SIMULATE ALL-ELECTRON CALCULATIONS WITH FLOATING SPHERICAL GAUSSIAN ORBITALS

被引：13

作者：

BARTHELAT, JC ^{[1
]}

DURAND, P ^{[1
]}

机构：

[1] UNIV TOULOUSE 3,LAB PHYS QUANTIQUE,F-31077 TOULOUSE,FRANCE

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 40卷 / 03期

关键词：

D O I：

10.1016/0009-2614(76)85107-X

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：407 / 409

页数：3

相关论文

共 22 条

[1] Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299
[2] PSEUDOPOTENTIAL AND LOCAL MOLECULAR-ORBITALS - STUDY OF VALENCE PROPERTIES OF XH4 MOLECULES (X=C, SI, GE, SN, PB)
BARTHELA.JC
DURAND, P
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (04) : 505 - 510
[3] PSEUDOPOTENTIALS AND LOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE MOLECULE
BARTHELAT, JC
DURAND, P
[J]. CHEMICAL PHYSICS LETTERS, 1972, 16 (01) : 63 - +
[4] PSEUDOPOTENTIAL AND DELOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE, ETHYLENE AND ACETYLENE MOLECULES
BARTHELAT, JC
DURAND, P
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (7-8) : 1105 - 1109
[5] LOCALIZED MOLECULAR-ORBITALS - ELECTRONIC-STRUCTURE OF METHANE MOLECULE
BARTHELAT, JC
DURAND, P
[J]. THEORETICA CHIMICA ACTA, 1972, 27 (02): : 109 - +
[6] BARTHELAT JC, 1972, 4EME COLL INT CHIM T
[7] COHEN ML, 1970, SOLID STATE PHYS, V24, P57
[8] GENERAL PSEUDOPOTENTIAL MODEL FOR MOLECULES WITH MANY VALENCE-ELECTRONS
DIXON, RN
HUGO, JMV
[J]. MOLECULAR PHYSICS, 1975, 29 (03) : 953 - 970
[9] NEW ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS
DURAND, P
BARTHELAT, JC
[J]. CHEMICAL PHYSICS LETTERS, 1974, 27 (02) : 191 - 194
[10] THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS
DURAND, P
BARTHELAT, JC
[J]. THEORETICA CHIMICA ACTA, 1975, 38 (04): : 283 - 302