A mathematical investigation of the Car-Parrinello method (Q1377020)

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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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