Croatica Chemica Acta, Vol. 55 No. 1-2, 1982.
Izvorni znanstveni članak
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
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
Datum izdavanja:
1.7.1982.
Posjeta: 883 *