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On the Theory of Pseudopotential
Author(s) -
Poplavnoi A. S.
Publication year - 1969
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.19690330206
Subject(s) - pseudopotential , operator (biology) , density functional theory , physics , theoretical physics , quantum mechanics , chemistry , biochemistry , repressor , transcription factor , gene
The pseudopotential theory of Austin, Heine, and Sham [6] is generalized. An optimized pseudopotential is obtained. In the case of small cores it may be replaced by the selfconjugate operator.