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research article
Accelerating Calculations of Ultrafast Time-Resolved Electronic Spectra with Efficient Quantum Dynamics Methods
2011
We explore three specific approaches for speeding up the calculation of quantum time correlation functions needed for time-resolved electronic spectra. The first relies on finding a minimum set of sufficiently accurate electronic surfaces. The second increases the time step required for convergence of exact quantum simulations by using different split-step algorithms to solve the time-dependent Schrödinger equation. The third approach lowers the number of trajectories needed for convergence of approximate semiclassical dynamics methods.
Use this identifier to reference this record
Type
research article
Web of Science ID
WOS:000291339700012
Authors
Publication date
2011
Published in
Volume
65
Issue
5
Start page
334
End page
338
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
May 26, 2011