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Pseudopotential charge densities of trigonal Se and Te
Author(s) -
Schlüter Michael
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.560070760
Subject(s) - pseudopotential , trigonal crystal system , charge (physics) , charge density , chemistry , elementary charge , atomic charge , condensed matter physics , electronic band structure , electronic band , effective nuclear charge , atomic physics , molecular physics , crystallography , physics , ion , crystal structure , molecule , quantum mechanics , electron , organic chemistry
The electronic charge distributions of trigonal Se and Te are studied by the empirical pseudopotential method. The atomic form factors have been taken from earlier band calculations of these elements. The charge densities are evaluated for individual groups of bands, and bonding properties are discussed.