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physics.chem-ph2010★ 1.3k cited
Nonlocal van der Waals density functional: The simpler the better
Oleg A. Vydrov, Troy Van Voorhis
We devise a nonlocal correlation energy functional that describes the entire range of dispersion interactions in a seamless fashion using only the electron density as input. The ne…
physics.chem-ph2010★ 129 cited
Dispersion interactions from a local polarizability model
Oleg A. Vydrov, Troy Van Voorhis
A local approximation for dynamic polarizability leads to a nonlocal functional for the long-range dispersion interaction energy via an imaginary-frequency integral. We analyze sev…