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John P. Perdew, Jianwei Sun, Adrienn Ruzsinszky, Pál D. Mezei, Gábor István Csonka
Pág. 2 - 7
While most molecules and solids are spin-unpolarized, most chemically-active atoms are partly spin-polarized. As a result, the errors of the spin-dependence of a density functional are much more troublesome for atomization energies than they are for typi...
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