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The Journal of Chemical Physics|December 20, 2012
Decoherence induced by conical intersections: complexity constrained quantum dynamics of photoexcited pyrazineTill Westermann, Uwe MantheThe Journal of Chemical Physics|May 3, 2013
Fast Shepard interpolation on graphics processing units: potential energy surfaces and dynamics for H + CH4 → H2 + CH3Ralph Welsch, Uwe MantheThe Journal of Chemical Physics|June 21, 2011
Intramolecular proton transfer in malonaldehyde: accurate multilayer multi-configurational time-dependent Hartree calculationsThorsten Hammer, Uwe MantheThe Journal of Chemical Physics|January 24, 2020
The multi-configurational time-dependent Hartree approach in optimized second quantization: Imaginary time propagation and particle number conservationThomas Weike, Uwe MantheThe Journal of Chemical Physics|April 9, 2022
A non-hierarchical correlation discrete variable representationRoman Ellerbrock, Uwe MantheThe Journal of Chemical Physics|November 9, 2010
A transition state view on reactive scattering: initial state-selected reaction probabilities for the H + CH4 → H2 + CH3 reaction studied in full dimensionalityGerd Schiffel, Uwe MantheThe Journal of Chemical Physics|June 3, 2016
S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scatteringUwe Manthe, Roman EllerbrockThe Journal of Chemical Physics|June 10, 2017
Non-adiabatic effects in F + CHD<sub>3</sub> reactive scatteringJuliana Palma, Uwe MantheThe Journal of Chemical Physics|February 11, 2012
Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: excited state tunneling splittings in malonaldehydeThorsten Hammer, Uwe MantheThe Journal of Chemical Physics|March 3, 2010
Quantum dynamics of the H+CH4-->H2+CH3 reaction in curvilinear coordinates: full-dimensional and reduced dimensional calculations of reaction ratesGerd Schiffel, Uwe ManthePageof 327