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Correlation‐corrected energy band (level) structures of low‐dimensional systems
Author(s) -
Ladik Janos J.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)63:3<631::aid-qua4>3.0.co;2-x
Subject(s) - correlation , exciton , statistical physics , energy (signal processing) , spectral line , physics , materials science , theoretical physics , condensed matter physics , quantum mechanics , mathematics , geometry
First, several reminiscences are recalled about the author's encounters with such a beautiful person as Professor Jean‐Louis Calais. Since Jean‐Louis was very much interested—among other things—in the correlation problem of solids, different methods are reviewed for the correlation correction of the energy bands of 1D and 2D periodic systems as well for the levels of 1D nonperiodic chains. The results obtained show a very good agreement with experiment for the fundamental gap and exciton spectra of different polymers, for the mechanical properties of polyethylene, as well for other not‐here‐described physical properties of different polymeric systems. The coding of these methods for the relativistic case is in progress. © 1997 John Wiley & Sons, Inc.