Shalashilin, D.V. and Burghardt, I. (2008) Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables. Journal of Chemical Physics, 129 (8). 084104.
Abstract
In this article, two coherent-state based methods of quantum propagation, namely, coupled coherent states (CCS) and Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH), are put on the same formal footing, using a derivation from a variational principle in Lagrangian form. By this approach, oscillations of the classical-like Gaussian parameters and oscillations of the quantum amplitudes are formally treated in an identical fashion. We also suggest a new approach denoted here as coupled coherent states trajectories (CCST), which completes the family of Gaussian-based methods. Using the same formalism for all related techniques allows their systematization and a straightforward comparison of their mathematical structure and cost.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) |
Depositing User: | Sherpa Assistant |
Date Deposited: | 03 Oct 2008 15:38 |
Last Modified: | 16 Sep 2016 13:37 |
Published Version: | http://dx.doi.org/10.1063/1.2969101 |
Status: | Published |
Publisher: | American Institute of Physics |
Identification Number: | 10.1063/1.2969101 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:4731 |