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Updated: May 31, 2026

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
Accelerating calculations of ultrafast time-resolved electronic spectra with efficient quantum dynamics methods
Marius Wehrle1, Miroslav Sulc, Jirí Vanícek
1Ecole Polytechnique Fédérale de Lausanne Institut des Sciences et Ingénierie Chimiques Laboratory of Theoretical Physical Chemistry.
Abstract:
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.
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