TITLE

Numerical application of the coupled cluster theory with localized orbitals to polymers. IV

AUTHOR(S)
Former, Wolfgang; Knab, Reinhard; Cizek, Jiri; Ladik, Janos
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/22/1997, Vol. 106 Issue 24, p10248
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents the formalism for the correction of the band structure for correlation effects of polymers in the framework of a localized orbital approximation using a quasiparticle model. Use of an ab initio framework Moller-Plesset perturbation theory in second order; Water stack; Hydrogen bonded water chain; Polyacetylene.
ACCESSION #
4228069

 

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