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Subspace theory with spherically symmetric densities.
- Source :
-
Journal of Chemical Physics . 2/21/2021, Vol. 154 Issue 7, p1-7. 7p. - Publication Year :
- 2021
-
Abstract
- Recently, it has been proved that a set of spherically symmetric non-degenerate densities determines uniquely the Coulomb external potential. This theory is now extended to degenerate states. Euler equations and Kohn–Sham equations are derived and a novel form of the virial theorem is presented. It is emphasized that degenerate states of atoms can be rigorously treated as spherically symmetric when a subspace density is used with equal weighting factors. [ABSTRACT FROM AUTHOR]
- Subjects :
- *VIRIAL theorem
*COULOMB potential
*DENSITY
*EULER equations
*COULOMB functions
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 154
- Issue :
- 7
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 148820117
- Full Text :
- https://doi.org/10.1063/5.0035846