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Title: Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation

The optimized mean-trajectory (OMT) approximation is a semiclassical method for computing vibrational response functions from action-quantized classical trajectories connected by discrete transitions that represent radiation-matter interactions. Here, we extend the OMT to include additional vibrational coherence and energy transfer processes. This generalized approximation is applied to a pair of anharmonic chromophores coupled to a bath. The resulting 2D spectra are shown to reflect coherence transfer between normal modes.
Authors:
;  [1]
  1. Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853 (United States)
Publication Date:
OSTI Identifier:
22415895
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ENERGY TRANSFER; QUANTIZATION; RESPONSE FUNCTIONS; SEMICLASSICAL APPROXIMATION; TRAJECTORIES; TWO-DIMENSIONAL CALCULATIONS; VIBRATIONAL STATES