Electronic Structure Calculations Using Self-Adaptive Multiscale Voronoi Basis Functions

    loading  Checking for direct PDF access through Ovid


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.

    loading  Loading Related Articles