Wave-function-based correlatedab initiocalculations on crystalline solids
نویسندگان
چکیده
منابع مشابه
A wave-function approach to solids
Hartree-Fock (HF) method is a useful first-step tool for investigating electronic structure and total energy of atoms and molecules: it gives very good electron density, reasonably accurate total energy, and molecular orbitals and orbital energies that are helpful for understanding the electronic structure. The HF method is, however, not commonly applied to solids nowadays, since electronic scr...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.60.5211