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Electron response in the Rutgers-Chalmers van der Waals Density ...

Electron response in the Rutgers-Chalmers van der Waals Density ...

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vdW-DF Presention Useful! Response Picture Theory<strong>van</strong> <strong>der</strong> <strong>Waals</strong> forces: nonlocal correlations, from plasmonsLondon++: atom oscillator coupl<strong>in</strong>gRapcewicz and Ashcroft, PRB 44, 4032 (91):◮ xc-hole nxc 0 [LDA/GGA-type plasmons] oscillates relative to electron;supplements Hopfield/An<strong>der</strong>son/Mahan exciton view, l<strong>in</strong>ks with density.◮ Rele<strong>van</strong>t: <strong>the</strong> plasmon coupl<strong>in</strong>g is dynamically screened.◮ Physics picture also <strong>in</strong> An<strong>der</strong>sson/Langreth/Lundqvist+DCL/Vosko works◮ Adiabatic connection formula (ACF) [DCL/Perdew/Gunnarsson/BIL 1975-77]Plasmons ↔ LSDA; lower-q plasmon shifts → surface energy.Set to follow plasmon zero-po<strong>in</strong>t energy shifts Plasmons ωqλc <strong>in</strong>complete correlation.vdW-DF builds nonlocal correlation energy from <strong>in</strong>side out, nxc 0 ← ωq λc .Per Hyldgaard

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