Exact constraints

Mel Levy
Tulane University

Exact constraints for approximating the components of F[n] will be presented. These include bounds, equalities, counterintuitive coordinate scaling inequalities, and constraints that arise from the ionization energy theorem. The proofs will be given by utilizing the exact definition of F[n]. For instance, the exact F[n] for a scaled ground-state density is not simply the kinetic plus electron repulsion expectation value of the corresponding scaled ground-state wavefunction.

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