Abstract
We prove that in an exact, unrestricted Hartree-Fock calculation each energy level of the HartreeFock equation is either completely filled or completely empty. The only assumption needed is that the two-body interaction is—like the Coulomb interaction—repulsive; it could, however, be more complicated than a simple potential; e.g., it could have tensor forces and velocity dependence. In particular, the Hartree-Fock energy levels of atoms and molecules, often called shells, are never partially filled.
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V.Bach, E. H. Lieb, and J.P. Solovej, “Generalized Hartree-Fock Theory and the Hubbard Model,” J. Stat. Phys. (to be published).
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© 1997 Springer-Verlag Berlin Heidelberg
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Bach, V., Lieb, É.H., Loss, M., Solovej, J.P. (1997). There Are No Unfilled Shells in Unrestricted Hartree-Fock Theory. In: Thirring, W. (eds) The Stability of Matter: From Atoms to Stars. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-03436-1_26
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DOI: https://doi.org/10.1007/978-3-662-03436-1_26
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