Extended quantum jump description of vibronic two-dimensional spectroscopy

Journal Article · Sun Jun 07 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4919870· OSTI ID:22415909

Albert, Julian; Falge, Mirjam; Keß, Martin; Wehner, Johannes G.; Engel, Volker ^[1]; Zhang, Pan-Pan; Eisfeld, Alexander ^[2]

---

1. Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Campus Nord, Emil-Fischer-St. 42, 97074 Würzburg (Germany)
2. Max-Planck-Institute for the Physics of Complex Systems, Noethnitzer St. 38, D-01187 Dresden (Germany)

We calculate two-dimensional (2D) vibronic spectra for a model system involving two electronic molecular states. The influence of a bath is simulated using a quantum-jump approach. We use a method introduced by Makarov and Metiu [J. Chem. Phys. 111, 10126 (1999)] which includes an explicit treatment of dephasing. In this way it is possible to characterize the influence of dissipation and dephasing on the 2D-spectra, using a wave function based method. The latter scales with the number of stochastic runs and the number of system eigenstates included in the expansion of the wave-packets to be propagated with the stochastic method and provides an efficient method for the calculation of the 2D-spectra.

• OSTI ID: 22415909
• Journal Information: Journal of Chemical Physics, Vol. 142, Issue 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
EIGENSTATES
ELECTRONIC STRUCTURE
EMISSION SPECTRA
EMISSION SPECTROSCOPY
MOLECULES
STOCHASTIC PROCESSES
TWO-DIMENSIONAL SYSTEMS
WAVE FUNCTIONS
WAVE PACKETS
WAVE PROPAGATION