Gaussian wave packets for quantum statistical mechanics
Thermal (canonical) condensed-phase systems are of considerable interest in computational science, and include for example reactions in solution. Time-independent properties of these systems include free energies and thermally averaged geometries - time-dependent properties include correlation funct...
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University of Bristol
2014
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.682558 |