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Hartree-fock instability in connection with the structure and geometry of some conjugated molecules

✍ Scribed by B.Ya. Simkin; M.N. Glukhovtsev; V.I. Minkin


Book ID
107732305
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
466 KB
Volume
71
Category
Article
ISSN
0009-2614

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## 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 fi