Variational Dynamics of Multicomponent Wave Functions Represented in a Basis Driven by a Time-Dependent Gaussian Wavepacket.
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DOI: 10.1021/acs.jctc.5c00640
Abstract: Large-amplitude motion of multidimensional molecular systems comprised of light quantum and heavy nearly classical particles is often described in terms of time-dependent Gaussian basis functions. To keep the basis size low, their dynamics should adapt… read more here.
Keywords: time dependent; time; basis; gaussian wavepacket ... See more keywords
Semiclassical Multistate Quantum Dynamics Using Thermalized Gaussian Wavepacket.
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DOI: 10.1021/acs.jctc.5c01001
Abstract: Electronic dynamics in condensed-phase systems are predominantly influenced by thermal effects and decoherence arising from the quantum bath coupled to the system. A system-bath Hamiltonian, where the ″system″ interacts with a ″bath″ of many harmonic… read more here.
Keywords: quantum dynamics; thermalized gaussian; time; gaussian wavepacket ... See more keywords