dorsal/arxiv
View SchemaThermodynamics in Density-Functional Theory and Force Theorems
| Authors | Junzo Chihara, Mitsuru Yamagiwa |
|---|---|
| Categories | |
| ArXiv ID | physics/0307008 |
| URL | https://arxiv.org/abs/physics/0307008 |
| DOI | 10.1143/PTP.111.339 |
| Journal | Prog. Theor. Phys. vol. 111, 339-359, 2004 |
Abstract
The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in this non-interacting system, which can enable us to set up the thermodynamical relations for a neutral electron-nucleus mixture in terms of quantities of the non-interacting system and the exchange-correlation effect. In this way, Andersen's force theorems are clearly described and easily proved in conjunction with other types of force theorems, Janak's theorem extended to a finite-temperature system, pressure formulas and some thermodynamical relations. For this purpose, the thermodynamics in the DF theory is presented in a systematic and explicit way.
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"abstract": "The density-functional (DF) theory provides a simple method for calculating\nthe properties of an interacting system under an external potential by\nassociating it with a corresponding non-interacting system. Here, we find some\nrelations in this non-interacting system, which can enable us to set up the\nthermodynamical relations for a neutral electron-nucleus mixture in terms of\nquantities of the non-interacting system and the exchange-correlation effect.\nIn this way, Andersen\u0027s force theorems are clearly described and easily proved\nin conjunction with other types of force theorems, Janak\u0027s theorem extended to\na finite-temperature system, pressure formulas and some thermodynamical\nrelations. For this purpose, the thermodynamics in the DF theory is presented\nin a systematic and explicit way.",
"arxiv_id": "physics/0307008",
"authors": [
"Junzo Chihara",
"Mitsuru Yamagiwa"
],
"categories": [
"physics.chem-ph",
"cond-mat.stat-mech",
"physics.gen-ph"
],
"doi": "10.1143/PTP.111.339",
"journal_ref": "Prog. Theor. Phys. vol. 111, 339-359, 2004",
"title": "Thermodynamics in Density-Functional Theory and Force Theorems",
"url": "https://arxiv.org/abs/physics/0307008"
},
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