REGULARIZATION OF MULTI-REFERENCE ENERGY DENSITY FUNCTIONAL CALCULATIONS
نویسندگان
چکیده
منابع مشابه
Local-density functional calculations of the energy of atoms
The total energies of atoms and with atomic number Z from 1 to 92 and singly-charge cations with Z from 2 to 92 have been calculated to an accuracy of 1 μHartree within four variants of the Kohn-Sham local-density approximation. The approximations considered are: the local-density approximation, the local-spin-density approximation, the relativistic local-density approximation, and the scalar-r...
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ژورنال
عنوان ژورنال: International Journal of Modern Physics E
سال: 2011
ISSN: 0218-3013,1793-6608
DOI: 10.1142/s0218301311017600