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Showing 2001 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2001★ 29 cited
Chemical bonding, elasticity, and valence force field models: a case study for alpha-Pt_2Si and PtSi
J. E. Klepeis, O. Beckstein, O. Pankratov +1
We have carried out a detailed study of the chemical bonding for two room-temperature stable platinum silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. An analysis of…
cond-mat.mtrl-sci2001★ 15 cited
Comparative study of density functional theories of the exchange-correlation hole and energy in silicon
A. C. Cancio, M. Y. Chou, Randolph Q. Hood
We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and…