Local exact exchange potentials within the all-electron FLAPW method and a comparison with pseudopotential results
نویسندگان
چکیده
منابع مشابه
Comparison between exact and semilocal exchange potentials: An all-electron study for solids
The exact-exchange (EXX) potential, which is obtained by solving the optimized-effective potential (OEP) equation, is compared to various approximate semilocal exchange potentials for a set of selected solids (C, Si, BN, MgO, Cu2O, and NiO). This is done in the framework of the linearized augmented plane-wave method, which allows for a very accurate all-electron solution of electronic structure...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2011
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.83.045105