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

共 59 条

[51] On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide [J].

Seibt, J. ;

Marquetand, P. ;

Engel, Volker ;

Chen, Z. ;

Dehrn, V. ;

Wuerthner, F. .

CHEMICAL PHYSICS, 2006, 328 (1-3) :354-362

[52] Vibronic Transitions and Quantum Dynamics in Molecular Oligomers: A Theoretical Analysis with an Application to Aggregates of Perylene Bisimides [J].

Seibt, J. ;

Winkler, T. ;

Renziehausen, K. ;

Dehm, V. ;

Wuerthner, F. ;

Meyer, H. -D. ;

Engel, V. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (48) :13475-13482

[53] 3D Spectroscopy of Vibrational Coherences in Quantum Dots: Theory [J].

Seibt, Joachim ;

Hansen, Thorsten ;

Pullerits, Tonu .

JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (38) :11124-11133

[54] Two-dimensional electronic spectra of symmetric dimers:: Intermolecular coupling and conformational states [J].

Szöcs, V ;

Pálszegi, T ;

Lukes, V ;

Sperling, J ;

Milota, F ;

Jakubetz, W ;

Kauffmann, HF .

JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (12)

[55]

Tannor D. J., 2007, Introduction to Quantum Mechanics: A Time-Dependent Perspective

[56] Femtosecond phase-coherent two-dimensional spectroscopy [J].

Tian, PF ;

Keusters, D ;

Suzaki, Y ;

Warren, WS .

SCIENCE, 2003, 300 (5625) :1553-1555

[57] Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy [J].

Wehner, Johannes ;

Falge, Mirjam ;

Strunz, Walter T. ;

Engel, Volker .

JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (13)

[58] MULTIMODE VIBRONIC COUPLING WITH DISSIPATION - APPLICATION OF THE MONTE-CARLO WAVE-FUNCTION PROPAGATION METHOD [J].

WOLFSEDER, B ;

DOMCKE, W .

CHEMICAL PHYSICS LETTERS, 1995, 235 (3-4) :370-376

[59]

Zewail AH, 2000, ANGEW CHEM INT EDIT, V39, P2587

← 1 2 3 4 5 6 →