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Implicit Density Functional Theory

Bin Liu·Jerome K. Percus
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Abstract

A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model systems, as well as a small number of exact sum rules. Prototypical application is made to several one-dimensional spinless non-interacting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states.

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Bin Liu, Jerome K. Percus. 2006-04-17. Implicit Density Functional Theory. https://doi.org/10.1103/physreva.74.012508

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