most citedSampling the reciprocal Coulomb potential in finite and anisotropic cells

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physics.chem-ph2025

Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applications

Jan Vorberger, Gabriel J. Smith, William Z. Van Benschoten +4

We investigate basic hydrogen quantities like the molecular bond length, the molecular dissociation energy and the van-der-Waals interaction in idealized situations in an effort to…