Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations (Q311631)
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scientific article; zbMATH DE number 6626828
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| English | Introducing PROFESS 3.0: an advanced program for orbital-free density functional theory molecular dynamics simulations |
scientific article; zbMATH DE number 6626828 |
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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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0.8930351734161377
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0.7914378643035889
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0.7818027138710022
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0.7661254405975342
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