Adaptive accuracy control for Car-Parrinello simulations (Q1805998)
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scientific article; zbMATH DE number 1356168
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Adaptive accuracy control for Car-Parrinello simulations |
scientific article; zbMATH DE number 1356168 |
Statements
Adaptive accuracy control for Car-Parrinello simulations (English)
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4 April 2000
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Car-Parrinello simulations
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quantum adiabatic approximation
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Born-Oppenheimer approximation
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molecular dynamics
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