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Spherical Density Functional Theory
Published 22 Sep 2020 in physics.chem-ph and quant-ph | (2009.10624v1)
Abstract: Recently, Theophilou (J. Chem.Phys {\bf 149} 074104 (2018)) showed that a set of spherically symmetric densities determines uniquely the external potential in molecules and solids. Here, spherically symmetric Kohn-Sham-like equations are derived. The spherical densities can be expressed with radial wave functions. Expression for the total energy is also presented.
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