Simple Approximate Physical Orbitals forGWQuasiparticle Calculations
نویسندگان
چکیده
منابع مشابه
Simple approximate physical orbitals for GW quasiparticle calculations.
Generating unoccupied orbitals within density functional theory (DFT) for use in GW calculations of quasiparticle energies becomes prohibitive for large systems. We show that, without any loss of accuracy, the unoccupied orbitals may be replaced by a set of simple approximate physical orbitals made from appropriately prepared plane waves and localized basis DFT orbitals that represent the conti...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2011
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.107.186404