Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631): Difference between revisions
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orbital-free density functional theory | |||
| Property / zbMATH Keywords: orbital-free density functional theory / rank | |||
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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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Revision as of 00:06, 28 June 2023
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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