Multiconfigurational quantum propagation with trajectory-guided generalized coherent states

A generalized version of the coupled coherent states method for coherent states of arbitrary Lie groups is developed. In contrast to the original formulation, which is restricted to frozen-Gaussian basis sets, the extended method is suitable for propagating quantum states of systems featuring divers...

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Veröffentlicht in:The Journal of chemical physics 2016-03, Vol.144 (9), p.094106-094106
Hauptverfasser: Grigolo, Adriano, Viscondi, Thiago F., de Aguiar, Marcus A. M.
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Sprache:eng
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Zusammenfassung:A generalized version of the coupled coherent states method for coherent states of arbitrary Lie groups is developed. In contrast to the original formulation, which is restricted to frozen-Gaussian basis sets, the extended method is suitable for propagating quantum states of systems featuring diversified physical properties, such as spin degrees of freedom or particle indistinguishability. The approach is illustrated with simple models for interacting bosons trapped in double- and triple-well potentials, most adequately described in terms of SU(2) and SU(3) bosonic coherent states, respectively.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4942926