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Numerical application of the coupled cluster theory with localized orbitals to polymers. IV...
- Source :
-
Journal of Chemical Physics . 6/22/1997, Vol. 106 Issue 24, p10248. 17p. 4 Diagrams, 7 Charts. - Publication Year :
- 1997
-
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.
- Subjects :
- *POLYMERS
*PERTURBATION theory
*POLYACETYLENES
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 106
- Issue :
- 24
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4228069
- Full Text :
- https://doi.org/10.1063/1.474051