Extended quantum jump description of vibronic two-dimensional spectroscopy

被引：12

作者：

Albert, Julian ^{[1
]}

Falge, Mirjam ^{[1
]}

Kess, Martin ^{[1
]}

Wehner, Johannes G. ^{[1
]}

Zhang, Pan-Pan ^{[2
]}

Eisfeld, Alexander ^{[2
]}

Engel, Volker ^{[1
]}

机构：

[1] Univ Wurzburg, Inst Phys & Theoret Chem, D-97074 Wurzburg, Germany

[2] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 2015年 / 142卷 / 21期

关键词：

WAVE-PACKET DYNAMICS; VIBRATIONAL COHERENCES; DISSIPATION; SPECTRA; COMPLEX;

D O I：

10.1063/1.4919870

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (C) 2015 AIP Publishing LLC.

引用

页数：10

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