Titlebook: Recent Advances in the Quantum Theory of Polymers; Proceedings of the W Jean Marie André,Jean-Luc Bredas,Carl Moser Conference proceedings

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Perigee

Localized orbitals techniques for ground state calculations on polymers,polymers is straightforward, by extrapolating molecular results or by introducing the translational symmetry. A discussion of some results obtained for saturated hydrocarbons and for polycyclic aromatic molecules is presented.

种属关系

Density functional formalism and correlation in semiconducting solids and polymers,depends on the long wavelength limit of the dielectric function so, which can be linked to a (Jones zone) averaged gap E. by the wellknown Penn-model, allowing that way a readjustement of the model correlation functional and so the Bloch factor for each new iteration.

做方舟

Correlation in polymers and interactions between polymers,d by investigating the k-dependence of the atomic populations due to the particular band. The integral of the density of states curve over these regions will provide then a weight factor for the bunchs of energy levels falling into a certain region.

instill

AB initio study of phonon spectra of solids,coefficient in the series, which is the ratio of the first to the zeroth moment, is treated as a constant and the higher moments are neglected. This method gives a description of the lattice dynamics based solely on the occupied one-electron states with the elimination of the unoccupied states.

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Polydipsia