Necessary and sufficient conditions are established for the N-representability of the universal one-electron reduced density matrix functional, guaranteeing variational upper bounds on the true energy regardless of interparticle repulsion strength.
The upper bound for Vee[γ] is obtained from the lower-bound for an attractive Coulomb interac- tion, V u.b
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Necessary and sufficient conditions for the N-representability of functionals of the one-electron reduced density matrix
Necessary and sufficient conditions are established for the N-representability of the universal one-electron reduced density matrix functional, guaranteeing variational upper bounds on the true energy regardless of interparticle repulsion strength.