skip to main content

Title: Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy

We apply the quantum diffusion wavefunction approach to calculate vibronic two-dimensional (2D) spectra. As an example, we use a system consisting of two electronic states with harmonic oscillator potentials which are coupled to a bath and interact with three time-delayed laser pulses. The first- and second-order perturbative wave functions which enter into the expression for the third-order polarization are determined for a sufficient number of stochastic runs. The wave-packet approach, besides being an alternative technique to calculate the spectra, offers an intuitive insight into the dissipation dynamics and its relation to the 2D vibronic spectra.
Authors:
; ;  [1] ;  [2]
  1. Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Hubland Campus Nord, Emil-Fischer-Str. 42, 97074 Würzburg (Germany)
  2. Institut für Theoretische Physik, TU Dresden, 01062 Dresden (Germany)
Publication Date:
OSTI Identifier:
22436554
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DIFFUSION; HARMONIC OSCILLATORS; LASERS; POLARIZATION; PULSES; SPECTRA; SPECTROSCOPY; TWO-DIMENSIONAL CALCULATIONS; WAVE FUNCTIONS