Electron response in the Rutgers-Chalmers van der Waals Density ...
Electron response in the Rutgers-Chalmers van der Waals Density ...
Electron response in the Rutgers-Chalmers van der Waals Density ...
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
vdW-DF Presention Useful! Response Collectivity Components test<strong>in</strong>gvdW-DF builds on conservation, aware of global density◮ vdW-DF exploits conservation, forexample, of <strong>the</strong> exhange correlation hole,n xc = n 0 xc+n nlc ↔ χ ACF +. . . ↔ ∇·{S+. . .}.◮ Plasmon are collective excitations,∫ ∫Ec nl = n(r)φ[n, ∇n](r, r ′ )n(r)r r ′has a GGA-type ability to reflect <strong>the</strong>global density variation <strong>in</strong>side componentsq 0 [n, ∇n] ↔ ɛ 0 xc ↔ n 0 xc.ACF-based reformulation of vdW-DF, exchange-correlation hole analysis, PH/KB/ES, <strong>in</strong> preparation.Per Hyldgaard