A NON-EMPIRICAL EFFECTIVE HAMILTONIAN TECHNIQUE FOR POLYMERS - APPLICATION TO POLYACETYLENE AND POLYDIACETYLENE

被引：303

作者：

BREDAS, JL

CHANCE, RR

SILBEY, R

NICOLAS, G

DURAND, P

机构：

[1] MIT,DEPT CHEM,CAMBRIDGE,MA 02139

[2] MIT,CTR MAT SCI & ENGN,CAMBRIDGE,MA 02139

[3] UNIV PAUL SABATIER,PHYS QUANT LAB,F-31062 TOULOUSE,FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 01期

关键词：

D O I：

10.1063/1.441833

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

页码：255 / 267

页数：13

共 56 条

[1]

Andre J. M., 1971, International Journal of Quantum Chemistry, V5, P557, DOI 10.1002/qua.560050509

[2]

Andre JM., 1980, ADV QUANTUM CHEM, V12, P65

[3]

ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451

[4]

ANDRE JM, 1980, LECTURE NOTES PHYSIC, V113

[5]

ANDRE JM, 1979, INT J QUANTUM CHEM, V13, P283

[6]

ARNOLD S, UNPUBLISHED

[7] STRUCTURES OF CIS-POLYACETYLENE AND HIGHLY CONDUCTING DERIVATIVES [J].

BAUGHMAN, RH ;

HSU, SL ;

PEZ, GP ;

SIGNORELLI, AJ .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (12) :5405-5409

[8]

BLOOR D, 1979, MOL METALS, V1, P243

[9] ELECTRONIC-STRUCTURE OF POLYDIACETYLENES - EFFECT OF BOND LENGTH VARIATIONS IN A MODEL SYSTEM [J].

BOUDREAUX, DS ;

CHANCE, RR .

CHEMICAL PHYSICS LETTERS, 1977, 51 (02) :273-278

[10] FSGO-CO STUDY OF THE LONG-RANGE EFFECTS ON CALCULATED CONFORMATIONAL STABILITY AND ON ONE-ELECTRON LEVELS OF POLYETHYLENE [J].

BREDAS, JL ;

ANDRE, JM ;

DELHALLE, J .

CHEMICAL PHYSICS, 1980, 45 (01) :109-118

← 1 2 3 4 5 6 →