Open AccessUnit cell restricted Bloch functions basis for first-principle transport models: Theory and application
Author(s) -
Marco Pala,
Paolo Giannozzi,
David Esseni
Publication year - 2020
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.102.045410
Subject(s) - pseudopotential , ab initio , hamiltonian (control theory) , wannier function , physics , basis set , statistical physics , quantum mechanics , basis (linear algebra) , ab initio quantum chemistry methods , wave function , density functional theory , mathematics , mathematical optimization , geometry , molecule
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