A mathematical investigation of the Car-Parrinello method (Q1377020)
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English | A mathematical investigation of the Car-Parrinello method |
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A mathematical investigation of the Car-Parrinello method (English)
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1 February 1998
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molecular dynamics
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quantum adiabatic approximation
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time-dependent Born-Oppenheimer approximation
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two-time-scale asymptotics
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Car-Parrinello method
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