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Ab initio effective Hamiltonian study of the electronic properties of conjugated polymers

✍ Scribed by Brédas, J. L.


Book ID
121232011
Publisher
American Institute of Physics
Year
1982
Tongue
English
Weight
739 KB
Volume
76
Category
Article
ISSN
0021-9606

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An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o