dorsal/arxiv
View SchemaFinite-temperature evaluation of the Fermi density operator
| Authors | F. Gagel |
|---|---|
| Categories | |
| ArXiv ID | physics/9705009 |
| URL | https://arxiv.org/abs/physics/9705009 |
| DOI | 10.1006/jcph.1997.5871 |
Abstract
A rational expansion of the Fermi density operator is proposed. This approach allows to calculate efficiently physical properties of fermionic systems at finite temperatures without solving an eigenvalue problem. Using N evaluations of the Green's function, the Fermi density operator can be approximated, subject to a given precision, in the energy interval from -A to infinity with A proportional to N. The presented method may become especially useful for electronic structure calculations involving the calculation of charge densities.
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"abstract": "A rational expansion of the Fermi density operator is proposed. This approach\nallows to calculate efficiently physical properties of fermionic systems at\nfinite temperatures without solving an eigenvalue problem. Using N evaluations\nof the Green\u0027s function, the Fermi density operator can be approximated,\nsubject to a given precision, in the energy interval from -A to infinity with A\nproportional to N. The presented method may become especially useful for\nelectronic structure calculations involving the calculation of charge\ndensities.",
"arxiv_id": "physics/9705009",
"authors": [
"F. Gagel"
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"categories": [
"physics.comp-ph",
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"doi": "10.1006/jcph.1997.5871",
"title": "Finite-temperature evaluation of the Fermi density operator",
"url": "https://arxiv.org/abs/physics/9705009"
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