title: Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation.
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 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.affiliation: Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, USA.
authors.forename: Mallory
authors.initials: M
authors.lastname: Alemi
authors.affiliation: Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, USA.
authors.forename: Roger F
authors.initials: RF
authors.lastname: Loring
mesh_terms: D004735:Energy Transfer; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D014732:Vibration