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Application of the Intermediate Exciton Formalism to H2 Molecular Chains

Miklos Kertesz ; Central Research Institute for Chemistry, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 17, Hungary
Jože Koller ; Boris Kidric Institute of Chemistry, 61001 Ljubljana, P.O.B. 380, Yugoslavia
Andrej Ažman ; Boris Kidric Institute of Chemistry, 61001 Ljubljana, P.O.B. 380, Yugoslavia


Puni tekst: engleski pdf 4.119 Kb

str. 85-89

preuzimanja: 230

citiraj


Sažetak

The interaction of the uncorrelated electrons and holes are
taken into account in a model insulator of H2 molecular chain by
the use of the intermediate excition theory. The calculations are
performed at ab initio level showing that the correlation corrections
to the forbidden energy gap are large.

Ključne riječi

Hrčak ID:

194279

URI

https://hrcak.srce.hr/194279

Posjeta: 386 *