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 e.g., for Molecular Assembly for Supramolecules (w. accel.)A contrast of vdW attraction: DNA and CNT dimersWith sfd-vdW-DF strategy, we beg<strong>in</strong> by evaluat<strong>in</strong>g <strong>the</strong> variation <strong>in</strong> Ecnl ; DFT-D vs. vdW-DF characterization:◮ DFT-D-type/electron functional for charged biomolecules?◮ Beyond-morphology enhancements extend longer <strong>in</strong> CNT.◮ vdW-DF is electron based, conserv<strong>in</strong>g; ready for next E nlcexploration of <strong>the</strong> attraction effects of counter ions.EL/PH/ES unpubl, KB/EL/ES/PH arXiv:1303.3762; [Also: <strong>Rutgers</strong>-<strong>Chalmers</strong> JACS 130, 1304 (08)].Per Hyldgaard
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