MULTIPOLE EXPANSION IN TIGHT-BINDING HARTREE-FOCK CALCULATIONS FOR INFINITE-MODEL POLYMERS

被引：148

作者：

DELHALLE, J ^{[1
]}

PIELA, L ^{[1
]}

BREDAS, JL ^{[1
]}

ANDRE, JM ^{[1
]}

机构：

[1] UNIV WARSAW,FAC CHEM,PL-02093 WARSAW,POLAND

来源：

PHYSICAL REVIEW B | 1980年 / 22卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.22.6254

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：6254 / 6267

页数：14

共 42 条

[1] AMOS AT, 1976, THEORETICAL CHEM ADV, V2, P2
[2] ANDRE JM, 1978, INT J QUANTUM CHEM, V12, P233
[3] ANDRE JM, 1978, QUANTUM THEORY POL C, V39
[4] ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[5] ANDRE JM, 1975, ELECTRONIC STRUCTU B, V9
[6] ANDRE JM, 1976, INT J QUANTUM CHEM S, V10, P99
[7] [Anonymous], CONFORMATIONAL PROPE
[8] FSGO-CO STUDY OF THE LONG-RANGE EFFECTS ON CALCULATED CONFORMATIONAL STABILITY AND ON ONE-ELECTRON LEVELS OF POLYETHYLENE
BREDAS, JL
ANDRE, JM
DELHALLE, J
[J]. CHEMICAL PHYSICS, 1980, 45 (01) : 109 - 118
[9] BREDAS JL, 1978, GAZZ CHIM ITAL, V108, P307
[10] BROOKS FC, 1952, PHYS REV, V56, P92