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Computation of the electronic density of states distributions of stereoregular polymers
Author(s) -
Delhalle J.,
Delhalle S.
Publication year - 1977
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/qua.560110215
Subject(s) - computation , polymer , statistical physics , materials science , computational chemistry , physics , computer science , chemistry , algorithm , composite material
A new algorithm for the computation of the density of states distributions of stereoregular polymers is presented. It is related to the Gilat–Raubenheimer technique for three dimensional systems. Its application to polyethylene is briefly described.