Non-adiabatic molecular dynamics and its applications in electron transport in nanostructures
Quantum Molecular dynamics (MD) simulations have been widely used to examine the dynamics of interactions between electrons and ions. The most commonly used MD method is the Born-Oppenheimer (BO) approximation, which assumes that the electronic states always stay on the ground-state energy surface o...
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University College London (University of London)
2013
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.594345 |