Local-density-functional calculations for defect interactions in Al
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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Haowei Peng,1 David O. Scanlon,2,3 Vladan Stevanovic,1,4 Julien Vidal,5 Graeme W. Watson,6 and Stephan Lany1 1National Renewable Energy Laboratory, Golden, Colorado 80401, USA 2University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, United Kingdom 3Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campu...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1996
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.53.8971