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Local behavior of hückel parameters
Author(s) -
Brüggemann R.,
Voitländer J.
Publication year - 1980
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.560180311
Subject(s) - hückel method , relation (database) , extended hückel method , statistical physics , physics , computer science , quantum mechanics , data mining , molecular orbital , molecule
Properties of Hückel parameters are investigated by using a mapping concept. The mapping is constructed by means of the Linderberg relation. No efforts are made to get a numerically correct description of the Hückel parameters.