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Libvdwxc
Jul 20, 2023
Van der Waals density functional (DFT) library
libvdwxc is a library of density functionals, which can be linked by density functional theory DFT codes, to enable the calculation of exchange and correlation energies for van der Waals density functionals vdW-DF. libvdwxc evaluates correlation energy and potential using a convolution in Fourier space using the method by Roman-Perez and Soler.
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