SELF-CONSISTENT, 1ST PRINCIPLES CALCULATIONS OF THE ELECTRONIC-STRUCTURES OF A LINEAR, INFINITE CARBON CHAIN

被引：29

作者：

SPRINGBORG, M

机构：

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1986年 / 19卷 / 23期

关键词：

D O I：

10.1088/0022-3719/19/23/010

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：4473 / 4482

页数：10

共 17 条

[1] A CNDO INDO CRYSTAL ORBITAL MODEL FOR TRANSITION-METAL POLYMERS OF THE 3D SERIES - BASIS EQUATIONS [J].

BOHM, MC .

THEORETICA CHIMICA ACTA, 1983, 62 (04) :351-372

[2] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J].

BONIFACIC, V ;

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2779-2786

[3] EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC-SYSTEMS .2. RESULTS FOR GRAPHITE AND HEXAGONAL BORON-NITRIDE [J].

DOVESI, R ;

PISANI, C ;

ROETTI, C .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (03) :517-529

[4] EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS .3. GROUND-STATE PROPERTIES OF DIAMOND [J].

DOVESI, R ;

PISANI, C ;

RICCA, F ;

ROETTI, C .

PHYSICAL REVIEW B, 1980, 22 (12) :5936-5944

[5] CHARGE-TRANSFER AND NON-RIGID-BAND EFFECTS IN THE GRAPHITE COMPOUND LIC6 [J].

EBERHARDT, W ;

MCGOVERN, IT ;

PLUMMER, EW ;

FISHER, JE .

PHYSICAL REVIEW LETTERS, 1980, 44 (03) :200-204

[6] GENERAL CRYSTALLINE HARTREE-FOCK FORMALISM - DIAMOND RESULTS [J].

EUWEMA, RN ;

WILHITE, DL ;

SURRATT, GT .

PHYSICAL REVIEW B, 1973, 7 (02) :818-831

[7] COMPARISON BETWEEN MODEL POTENTIAL AND HARTREE-FOCK RESULTS FOR DIAMOND [J].

EUWEMA, RN ;

GREENE, RL .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (11) :4455-4459

[8] SELF-CONSISTENT ELECTRONIC-STRUCTURE OF SI, GE AND DIAMOND BY THE LMTO-ASA METHOD [J].

GLOTZEL, D ;

SEGALL, B ;

ANDERSEN, OK .

SOLID STATE COMMUNICATIONS, 1980, 36 (05) :403-406

[9]

HOLZWARTH NAW, 1982, PHYS REV B, V26, P5383

[10] ABINITIO STUDIES ON POLYMERS .1. LINEAR INFINITE POLYYNE [J].

KARPFEN, A .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (16) :3227-3237

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