A COMPARISON OF THE ONE-DIMENSIONAL BAND STRUCTURES OF NI TETRABENZOPORPHYRIN AND PHTHALOCYANINE CONDUCTING POLYMERS

被引:74
作者
KUTZLER, FW
ELLIS, DE
机构
[1] NORTHWESTERN UNIV,DEPT PHYS & ASTRON,EVANSTON,IL 60201
[2] USN,RES LAB,WASHINGTON,DC 20375
[3] NORTHWESTERN UNIV,MAT RES CTR,EVANSTON,IL 60201
关键词
D O I
10.1063/1.450586
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
收藏
页码:1033 / 1038
页数:6
相关论文
共 28 条
[1]   ELECTRONIC-STRUCTURE OF FREE-BASE AND TRANSITION-METAL TETRAAZAPORPHYRINS [J].
BERKOVITCHYELLIN, Z ;
ELLIS, DE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (20) :6066-6073
[3]   EFFICIENT AND ACCURATE EXPANSION METHODS FOR MOLECULES IN LOCAL DENSITY MODELS [J].
DELLEY, B ;
ELLIS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) :1949-1960
[4]  
DEVREESE JT, 1979, HIGHLY CONDUCTING ON
[5]   Discrete variational method for the energy-band problem with general crystal potentials [J].
Ellis, D. E. ;
Painter, G. S. .
PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (08) :2887-2898
[6]   CHARGE AND SPIN DISTRIBUTIONS OF COPPER AND SILVER PORPHINE [J].
ELLIS, DE ;
BERKOVITCHYELLIN, Z .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) :2427-2435
[7]  
ENGLER EM, 1977, CHEM PHYSICS ONE DIM, P31
[8]  
HATFIELD WA, 1979, MOL METALS
[9]  
HEEGER AJ, 1977, CHEM PHYSICS ONE DIM, P89
[10]   PORPHYRINIC MOLECULAR-METALS [J].
HOFFMAN, BM ;
IBERS, JA .
ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (01) :15-21