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Band structure of KCl by green's function method
Author(s) -
Yamashita Jiro,
Asano Seturo
Publication year - 2009
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.560010663
Subject(s) - tight binding , valence (chemistry) , electronic band structure , function (biology) , molecular physics , valence band , condensed matter physics , atomic physics , chemistry , physics , computational chemistry , materials science , electronic structure , computational physics , statistical physics , quantum mechanics , band gap , evolutionary biology , biology
The structure of the valence bands in KC1 is calculated by the Green's function method. The results are compared with those of Howland by the tight‐binding approximation. It is found that results obtained by the two methods are in good agreement.