LOCAL-DENSITY FUNCTIONAL-APPROACH TO ALL-TRANS-POLYACETYLENE

被引:82
作者
MINTMIRE, JW
WHITE, CT
机构
关键词
D O I
10.1103/PhysRevB.28.3283
中图分类号
T [工业技术];
学科分类号
08 ;
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页码:3283 / 3290
页数:8
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共 51 条
  • [1] QUANTUM THEORY OF DIELECTRIC CONSTANT IN REAL SOLIDS
    ADLER, SL
    [J]. PHYSICAL REVIEW, 1962, 126 (02): : 413 - +
  • [2] Andre J. M., 1971, International Journal of Quantum Chemistry, V5, P557, DOI 10.1002/qua.560050509
  • [3] Andre JM, 1971, CHEM PHYS LETT, V8, P195, DOI 10.1016/0009-2614(71)80012-X
  • [4] BAERISWYL D, UNPUB
  • [5] A NON-EMPIRICAL EFFECTIVE HAMILTONIAN TECHNIQUE FOR POLYMERS - APPLICATION TO POLYACETYLENE AND POLYDIACETYLENE
    BREDAS, JL
    CHANCE, RR
    SILBEY, R
    NICOLAS, G
    DURAND, P
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) : 255 - 267
  • [6] CONNOLLY JWD, 1976, MODERN THEORETICAL C, V7
  • [7] Coulson C. A., 1939, P ROY SOC LOND A MAT, VA169, P413, DOI [DOI 10.1098/RSPA.1939.0006, 10.1098/rspa.1939.0006]
  • [8] ELECTRONIC-STRUCTURE OF POLYENES AND POLYACETYLENE
    DUKE, CB
    PATON, A
    SALANECK, WR
    THOMAS, HR
    PLUMMER, EW
    HEEGER, AJ
    MACDIARMID, AG
    [J]. CHEMICAL PHYSICS LETTERS, 1978, 59 (01) : 146 - 150
  • [9] SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
    DUNLAP, BI
    CONNOLLY, JWD
    SABIN, JR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) : 3396 - 3402
  • [10] SELF-CONSISTENT FIELD APPROACH TO THE MANY-ELECTRON PROBLEM
    EHRENREICH, H
    COHEN, MH
    [J]. PHYSICAL REVIEW, 1959, 115 (04): : 786 - 790