ArticleThe journal of physical chemistry. B2015
Two-Dimensional Vibrational Spectroscopy of a Dissipative System with the Optimized Mean-Trajectory Approximation.
Article in The journal of physical chemistry. B, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Simple Quantum Dynamics with Thermalization.The journal of physical chemistry. A · 2018Article
- Thermal weights for semiclassical vibrational response functions.The Journal of chemical physics · 2015Article
- Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation.The Journal of chemical physics · 2015Article
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Authors and funding
2 authors.
Funding
Abstract
The optimized mean-trajectory (OMT) approximation is a semiclassical method for computing vibrational response functions from action-quantized classical trajectories connected by discrete transitions representing radiation-matter interactions. Here we apply this method to an anharmonic chromophore coupled to a harmonic bath. A forward-backward trajectory implementation of the OMT method is described that addresses the numerical challenges of applying the OMT to large systems with disparate frequency scales. The OMT is shown to well reproduce line shapes and waiting time dynamics in the pure dephasing limit of weak coupling to an off-resonant bath. The OMT is also shown to describe a case where energy transfer is the predominant source of line broadening.
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