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 ...
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vdW-DF Presention Useful! Response Collectivity Components test<strong>in</strong>gFunctional components <strong>in</strong> benzene on graphene adsorption◮ Corrugation reflects exchange choice — because(∆E x1 − ∆E x2 ) acts as load l<strong>in</strong>e and <strong>the</strong>refore changes 〈h〉.◮ There exists analysis to prefer one exhange choice [PW86r] formolecular systems and one choice [C09] for bulk.◮ Measur<strong>in</strong>g corrugation might allow bootstrap specification ofphysisorption 〈h〉; Note physisorbed molecules is not ‘on site.’◮ One may even obta<strong>in</strong> an extraction of E xc [〈h〉] becausenonlocal k<strong>in</strong>etic-energy effects are found small.◮ Contrast<strong>in</strong>g same-<strong>in</strong>terface/different volume physisorptionmight <strong>the</strong>n analyse <strong>the</strong> role of nonlocal correlations ∆E nlc .KB/PH, arXiv:1303.0389; PRB <strong>in</strong> pressPer Hyldgaard
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