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Electronic structure and collective excitations of long molecules with conjugation in the main chain

✍ Scribed by I. A. Misurkin; A. A. Ovchinnikov; G. A. Vinodgradov

Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
849 KB
Volume
9
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Electronic structure and collective excitations of long molecules with conjugated bonds in the main chain (linear polyene, cyclic polyene, polyphenylacetylene (PPA)) are considered. The electronic structure of these polymers is investigated by the generalized Hartree–Fock method. The first triplet collective excitations are derived using the compact technique of the Green's functions. This approach is shown to be equivalent to the random phase approximation. The problem of the triplet collective excitations in long cyclic polyenes is solved analytically and good agreement with the exact results is found. The effects of the free ends in a linear polyene are considered. The approach developed for PPA and polyene may be applied to an investigation of any polymer molecule with equivalent unit cells.

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