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Van der Waals forces from first principles for periodic systems: Application to graphene-water interactions
chemical-physicscomputational-physicsdisordered-systems-and-neural-networksmaterials-sciencequantum-physics
We extend the method of Silvestrelli [P. L. Silvestrelli, J. Chem. Phys. 139, 054106 (2013)] to approximate long-range van der Waals interactions at the density functional theory level based on maximally localized Wannier functions combined with the quantum harmonic oscillator model, to periodic sys
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