title: Local response dispersion method in periodic systems: Implementation and assessment.
abstract: We report the implementation of the local response dispersion (LRD) method in an electronic structure program package aimed at periodic systems and an assessment combined with the Perdew-Burke-Ernzerhof (PBE) functional and its revised version (revPBE). The real-space numerical integration was implemented and performed exploiting the electron distribution given by the plane-wave basis set. The dispersion-corrected density functionals revPBE+LRD was found to be suitable for reproducing energetics, structures, and electron distributions in simple substances, molecular crystals, and physical adsorptions.
authors.affiliation: Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo, 169-8555, Japan.
authors.forename: Yasuhiro
authors.initials: Y
authors.lastname: Ikabata
authors.forename: Yusuke
authors.initials: Y
authors.lastname: Tsukamoto
authors.forename: Yutaka
authors.initials: Y
authors.lastname: Imamura
authors.forename: Hiromi
authors.initials: H
authors.lastname: Nakai
keywords: density functional theory; dispersion force; periodic boundary condition; physical adsorption; plane-wave basis set