Journal of chemical theory and computation
FC2DES+HT: Including Herzberg-Teller Effects in the Simulation of 2D Electronic Spectra for Harmonic Hamiltonians.
Lucas Allan, Tim J Zuehlsdorff
Published: 202510.1021/acs.jctc.5c01363
Abstract
Two-dimensional electronic spectroscopy (2DES) is a powerful experimental technique, as it directly probes the nonlinear (third-order) response function of the system, providing key insights into ultrafast energy transfer and relaxation processes. Ho…
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