De Fabritiis G., Succi S. — Electronic Structure Calculations Using Self-Adaptive Multiscale Voronoi Basis Functions
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Название: Electronic Structure Calculations Using Self-Adaptive Multiscale Voronoi Basis Functions
Авторы: De Fabritiis G., Succi S.
Аннотация:
The multiscale self-adaptivity of Voronoi basis functions is currently proving to be useful for the simulation of complex fluid systems involving structures on a number of distinct lengthscales. In this paper, we explore the possibility of extending the use of such multiscale basis functions to the framework of density functional theoretic electronic structure computations.
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