scholarly journals Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex

2016 ◽  
Vol 144 (18) ◽  
pp. 185101 ◽  
Author(s):  
Jan Schulze ◽  
Mohamed F. Shibl ◽  
Mohammed J. Al-Marri ◽  
Oliver Kühn
Keyword(s):  
Time Dependent ◽  
Vibrational Dynamics

scholarly journals Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy

2014 ◽  
Vol 16 (36) ◽  
pp. 19643-19653 ◽  
Author(s):  
Luuk J. G. W. van Wilderen ◽  
Daniela Kern-Michler ◽  
Henrike M. Müller-Werkmeister ◽  
Jens Bredenbeck
Keyword(s):  
Hydrogen Bonding ◽  
Ir Spectroscopy ◽  
Structural Dynamics ◽  
Spectral Diffusion ◽  
Time Dependent ◽  
Vibrational Dynamics ◽  
2D Ir

The vibrational label SCN is used to report on local structural dynamics in a protein revealing spectral diffusion on a picosecond scale. The SCN spectra are compared to the response of methylthiocyanate in solvents with different polarity and hydrogen-bonding capabilities.

scholarly journals Correction: Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy

2017 ◽  
Vol 19 (14) ◽  
pp. 9676-9678 ◽  
Author(s):  
Luuk J. G. W. van Wilderen ◽  
Daniela Kern-Michler ◽  
Henrike M. Müller-Werkmeister ◽  
Jens Bredenbeck
Keyword(s):  
Ir Spectroscopy ◽  
Chem Phys ◽  
Time Dependent ◽  
Vibrational Dynamics ◽  
2D Ir ◽  
Phys Chem Chem Phys

Correction for ‘Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy’ by Luuk J. G. W. van Wilderen et al., Phys. Chem. Chem. Phys., 2014, 16, 19643–19653.

Sensitivity of time-dependent vibrational dynamics to curve-crossing topology

1991 ◽  
Vol 40 (S25) ◽  
pp. 141-153 ◽  
Author(s):  
J. Broeckhove ◽  
B. Feyen ◽  
L. Lathouwers
Keyword(s):  
Time Dependent ◽  
Vibrational Dynamics ◽  
Curve Crossing

scholarly journals Vibrational dynamics of the H5+ and its isotopologues from multiconfiguration time-dependent Hartree calculations

2012 ◽  
Vol 137 (21) ◽  
pp. 214308 ◽  
Author(s):  
Álvaro Valdés ◽  
Rita Prosmiti ◽  
Gerardo Delgado-Barrio
Keyword(s):  
Time Dependent ◽  
Vibrational Dynamics

scholarly journals High-dimensional exciton-vibrational wave-packet dynamics in the FMO complex. influence of site-specific spectral densities

2019 ◽  
Vol 205 ◽  
pp. 10010
Author(s):  
Jan Schulze ◽  
Mohamed F. Shibl ◽  
Mohammed J. Al-Marri ◽  
Oliver Kuhn
Keyword(s):  
Wave Packet ◽  
Spectral Density ◽  
Time Dependent ◽  
High Dimensional ◽  
Spectral Densities ◽  
Vibrational Dynamics ◽  
Site Specific ◽  
Wave Packet Dynamics ◽  
Complex Influence ◽  
Wavepacket Propagation

The correlated exciton-vibrational dynamics of the Fenna-Matthews-Olson (FMO) complex is studied using Multi-layer Multi-configuration Time-dependent Hartree (ML-MCTDH) wavepacket propagation. Exciton populations and coherences are shown to be sensitive to the details of the spectral density.

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