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Vanadium monoxide energy‐spectrum calculation using the augmented‐plane‐wave and Green's function methods
Author(s) -
Wolf G. V.,
Farberov D. S.,
Shirokovskii V. P.
Publication year - 1977
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.560120307
Subject(s) - vanadium , plane wave , plane (geometry) , spectrum (functional analysis) , energy (signal processing) , monoxide , energy spectrum , carbon monoxide , function (biology) , chemistry , wave function , atomic physics , physics , quantum mechanics , inorganic chemistry , mathematics , geometry , evolutionary biology , biology , biochemistry , catalysis
Energy bands of VO are calculated by the augmented‐plane‐wave and Green's function methods. The results of calculations with different potentials are compared. The physical causes for differences in the bands are discussed.