SMALL CHAIN APPROXIMATION FOR THE ELECTRONIC-STRUCTURE OF POLYACETYLENE

被引：77

作者：

KIRTMAN, B

NILSSON, WB

PALKE, WE

机构：

来源：

SOLID STATE COMMUNICATIONS | 1983年 / 46卷 / 11期

关键词：

D O I：

10.1016/0038-1098(83)90003-0

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

收藏

页码：791 / 794

页数：4

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共 15 条

[1] Andre J. M., 1971, International Journal of Quantum Chemistry, V5, P557, DOI 10.1002/qua.560050509
[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
POPLE, JA
HEHRE, WJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947
[3] SELF-CONSISTENT THEORY OF BOND ALTERNATION IN POLYENES - NORMAL STATE, CHARGE-DENSITY WAVES, AND SPIN-DENSITY WAVES
HARRIS, RA
FALICOV, LM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (11) : 5034 - &
[4] CIS-TRANS ISOMERISM IN INFINITE POLYACETYLENES - AN ABINITIO STUDY
KARPFEN, A
HOLLER, R
[J]. SOLID STATE COMMUNICATIONS, 1981, 37 (02) : 179 - 182
[5] ABINITIO STUDIES ON POLYMERS .2. ALL-TRANS POLYENE
KARPFEN, A
PETKOV, J
[J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 65 - 74
[6] STRUCTURE OF INFINITE POLYENES - ABINITIO QUANTUM CHEMICAL STUDY
KERTESZ, M
KOLLER, J
AZMAN, A
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1978, (13) : 575 - 576
[7] AB-INITIO HARTREE-FOCK CRYSTAL ORBITAL STUDIES - ENERGY-BANDS IN POLYENE RECONSIDERED
KERTESZ, M
KOLLER, J
AZMAN, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (03) : 1180 - 1186
[8] KING HF, 1980, NATIONAL RESOURCE CO, V1
[9] MOLECULAR ELECTRONIC-STRUCTURE BY COMBINATION OF FRAGMENTS
KIRTMAN, B
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (07) : 1059 - 1064
[10] DENSITY-MATRIX TREATMENT OF LOCALIZED ELECTRONIC INTERACTIONS IN MOLECULES AND SOLIDS
KIRTMAN, B
DEMELO, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (09) : 4592 - 4602