Sampling minimal, adaptive basis sets for multidimensional, nuclear quantum dynamics using simple, semi-classical trajectories
Methods for the study of nuclear quantum dynamics can be categorised by the nature of the basis set expansion they employ. The wavefunction can be expanded in a static set of time-independent basis functions, the time evolution being described solely via the expansion coefficients. Alternatively, ba...
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University of Warwick
2017
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.731422 |