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Showing 2012 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2012★ 36 cited
Calculating dispersion interactions using maximally-localized Wannier functions
Lampros Andrinopoulos, Nicholas D. M. Hine, Arash A. Mostofi
We investigate a recently developed approach [P. L. Silvestrelli, Phys. Rev. Lett. 100, 053002 (2008); J. Phys. Chem. A 113, 5224 (2009)] that uses maximally localized Wannier func…
cond-mat.mtrl-sci2012★ 7 cited
Generalized Wannier functions: a comparison of molecular electric dipole polarizabilities
David D. O'Regan, Mike C. Payne, Arash A. Mostofi
Localized Wannier functions provide an efficient and intuitive means by which to compute dielectric properties from first principles. They are most commonly constructed in a post-p…