ORIGIN OF MINIMUM IN TOTAL ENERGY CURVE OF DIAMOND USING EXTENDED HUCKEL THEORY

被引：8

作者：

LANNOO, M ^{[1
]}

机构：

[1] INST SUPER ELECTR N,CNRS,LAB PHYS SOLIDES,LILLE 59,FRANCE

来源：

JOURNAL DE PHYSIQUE | 1972年 / 33卷 / 11-1期

关键词：

D O I：

10.1051/jphys:019720033011-120110500

中图分类号：

学科分类号：

摘要：

引用

页码：1105 / 1113

页数：9

共 11 条

[1] EXTENDED HUCKEL THEORY + MOLECULAR HARTREE-FOCK SCF THEORY
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[2] ON ELECTRONIC STRUCTURE OF LIQUID TRANSITIONAL METALS
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[J]. ADVANCES IN PHYSICS, 1967, 16 (63) : 393 - +
[3] CALCULATION OF COHESION AND SURFACE TENSION OF TRANSITION METALS BY A TIGHT BINDING METHOD
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[J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1968, 29 (07) : 1235 - +
[4] GOODISMAN J, 1968, J AM CHEM SOC, V91, P6552
[5] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
HOFFMANN, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) : 1397 - &
[6] TABLES OF INTEGRALS USEFUL FOR THE CALCULATIONS OF MOLECULAR ENERGIES .3.
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[J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1953, 8 (04) : 463 - 476
[7] LINEAR COMBINATION OF ATOMIC ORBITAL-MOLECULAR ORBITAL TREATMENT OF DEEP DEFECT LEVEL IN A SEMICONDUCTOR - NITROGEN IN DIAMOND
MESSMER, RP
WATKINS, GD
[J]. PHYSICAL REVIEW LETTERS, 1970, 25 (10) : 656 - +
[8] CALCULATION OF PHYSICAL PROPERTIES OF SOLIDS BY EXTENDED HUCKEL THEORY
MOORE, EB
CARLSON, CM
[J]. PHYSICAL REVIEW B, 1971, 4 (06): : 2063 - &
[9] MOLECULAR ORBITALS FOR ORGANIC SYSTEMS PARAMETRIZED FROM SCF MODEL CALCULATIONS
NEWTON, MD
BOER, FP
LIPSCOMB, WN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (11) : 2367 - +
[10] MOLECULAR ORBITAL THEORY FOR LARGE MOLECULES . APPROXIMATION OF SCF LCAO HAMILTONIAN MATRIX
NEWTON, MD
BOER, FP
LIPSCOMB, WN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (11) : 2353 - &

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