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

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vdW-DF Presention Useful! Response Collectivity Components testingFunctional components in benzene on graphene adsorption◮ Corrugation is sensitive to choice ofexchange in vdW-DF version or variant◮ Corrugation is insensitive to exchangechoice when viewed at given separation 〈h〉.◮ Corrugation reflects exchange choice —because (∆E x1 − ∆E x2 ) acts as load lineand therefore changes 〈h〉.KB/PH, arXiv:1303.0389;PRB in pressPer Hyldgaard
vdW-DF Presention Useful! Response Collectivity Components testingFunctional components in benzene on graphene adsorption◮ Corrugation reflects exchange choice — because(∆E x1 − ∆E x2 ) acts as load line and therefore changes 〈h〉.◮ There exists analysis to prefer one exhange choice [PW86r] formolecular systems and one choice [C09] for bulk.◮ Measuring corrugation might allow bootstrap specification ofphysisorption 〈h〉; Note physisorbed molecules is not ‘on site.’◮ One may even obtain an extraction of E xc [〈h〉] becausenonlocal kinetic-energy effects are found small.◮ Contrasting same-interface/different volume physisorptionmight then analyse the role of nonlocal correlations ∆E nlc .KB/PH, arXiv:1303.0389; PRB in pressPer Hyldgaard
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Electron response in the Rutgers-Chalmers van der Waals Density ...

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