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Showing 1 to 3 of 3 for “"condensed phase dynamics"”.
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Quantum-classical and semiclassical path integral methods for condensed phase dynamics
Chemical dynamics are essentially quantum mechanical processes. A great variety of chemical processes such as electron transfer and energy relaxation occur in condensed phase, reactants and products embedding in a non-reactive solution/environment. Therefore, quantum dynamics in condensed phase is …
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Theoretical studies on the properties and dynamics of electronic excited states
… excited states with semi-local functionals. Condensed phase dynamics of excited states are even more intractable on account of the computational cost scaling exponentially with the number of condensed phase particles under consideration. However, it is still possible to develop cheap but …
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Path integral methods for quantum dynamics in condensed phases
… mechanical effects play an important role in dynamics of condensed phases. It is also well known that the difficulty of solving the full Schrödinger equation grows exponentially with time. One approach to cope up with this difficulty is to restrict quantum treatment to a few particles (system) …