Basics of Surface Hopping in Mixed Quant
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Karen Drukker
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Article
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1999
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Elsevier Science
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English
β 423 KB
This paper gives an overview of mixed quantum/classical simulation techniques based on the ideas of surface hopping . Basics such as the separation of a system into a classical and a quantum mechanical part are addressed. First, the Ehrenfest approach, which relies on a single-configuration approxim