dorsal/arxiv
View SchemaImplicit Density Functional Theory
| Authors | Bin Liu, Jerome K. Percus |
|---|---|
| Categories | |
| ArXiv ID | physics/0604128 |
| URL | https://arxiv.org/abs/physics/0604128 |
| DOI | 10.1103/PhysRevA.74.012508 |
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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"abstract": "A fermion ground state energy functional is set up in terms of particle\ndensity, relative pair density, and kinetic energy tensor density. It satisfies\na minimum principle if constrained by a complete set of compatibility\nconditions. A partial set, which thereby results in a lower bound energy under\nminimization, is obtained from the solution of model systems, as well as a\nsmall number of exact sum rules. Prototypical application is made to several\none-dimensional spinless non-interacting models. The effectiveness of \"atomic\"\nconstraints on model \"molecules\" is observed, as well as the structure of\nsystems with only finitely many bound states.",
"arxiv_id": "physics/0604128",
"authors": [
"Bin Liu",
"Jerome K. Percus"
],
"categories": [
"physics.chem-ph",
"physics.atm-clus",
"physics.comp-ph"
],
"doi": "10.1103/PhysRevA.74.012508",
"title": "Implicit Density Functional Theory",
"url": "https://arxiv.org/abs/physics/0604128"
},
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"type": "Model",
"variant": "snapshot-2026-03-01",
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