Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631)
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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 |
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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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