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- W3088082167 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." @default.
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- W3088082167 date "2020-09-22" @default.
- W3088082167 modified "2023-09-27" @default.
- W3088082167 title "Spherical Density Functional Theory" @default.
- W3088082167 hasPublicationYear "2020" @default.
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