Spin-Polarized GLLB-SC potential and efficient real time LCAO ...
Spin-Polarized GLLB-SC potential and efficient real time LCAO ...
Spin-Polarized GLLB-SC potential and efficient real time LCAO ...
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Model <strong>potential</strong>s! All xc-<strong>potential</strong>s can be divided to two parts (detailsomitted)v xc (r) =v scr (r)+v resp (r)! v scr (r)is the Coulomb <strong>potential</strong> of exchange correlationholei.e. Slater <strong>potential</strong>.v resp (r)! is the response of the xc-hole <strong>potential</strong> todensity variation. Contains the discontinuity.! The parts can be approximated separately. There existsseveral <strong>potential</strong>s with different approximations to theseparts.