Improving the efficiency of G0W0 calculations with approximate spectral decompositions of dielectric matrices
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چکیده
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چکیده ندارد.
15 صفحه اولImproving the Efficiency of FP-LAPW Calculations
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has greatly increased its applicability, but it is still generally believed that FP-LAPW calculations require substantial higher computational effort compared to th...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5126214