Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631): Difference between revisions
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| Property / DOI | |||
| Property / DOI: 10.1016/j.cpc.2014.12.021 / rank | |||
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| Property / Mathematics Subject Classification ID: 81-04 / rank | |||
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| Property / Mathematics Subject Classification ID: 81V45 / rank | |||
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| Property / Mathematics Subject Classification ID: 81V55 / rank | |||
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| Property / Mathematics Subject Classification ID: 49S05 / rank | |||
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| Property / Mathematics Subject Classification ID: 81T80 / rank | |||
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| Property / Mathematics Subject Classification ID: 81-08 / rank | |||
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| Property / zbMATH DE Number | |||
| Property / zbMATH DE Number: 6626828 / rank | |||
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| Property / zbMATH Keywords | |||
orbital-free density functional theory | |||
| Property / zbMATH Keywords: orbital-free density functional theory / rank | |||
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| Property / zbMATH Keywords | |||
kinetic energy density functional | |||
| Property / zbMATH Keywords: kinetic energy density functional / rank | |||
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first-principles methods | |||
| Property / zbMATH Keywords: first-principles methods / rank | |||
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electronic structure | |||
| Property / zbMATH Keywords: electronic structure / rank | |||
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molecular dynamics | |||
| Property / zbMATH Keywords: molecular dynamics / rank | |||
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| Property / Wikidata QID | |||
| Property / Wikidata QID: Q58758123 / rank | |||
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| Property / describes a project that uses | |||
| Property / describes a project that uses: PROFESS / rank | |||
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| Property / MaRDI profile type: MaRDI publication profile / rank | |||
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| Property / full work available at URL: https://doi.org/10.1016/j.cpc.2014.12.021 / rank | |||
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| Property / OpenAlex ID: W2043015819 / rank | |||
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| Property / DOI: 10.1016/J.CPC.2014.12.021 / rank | |||
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Latest revision as of 14:05, 9 December 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations |
scientific article |
Statements
Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (English)
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13 September 2016
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orbital-free density functional theory
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kinetic energy density functional
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first-principles methods
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electronic structure
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molecular dynamics
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