B. Hartke

activity

19952019

most citedGlobal optimization of parameters in the reactive force field ReaxFF for SiOH

105 citations · 205 across the 6 of their papers we have counts for

collaborators

Showing physics.chem-phShow all

2 papers · 1 filter

physics.chem-ph2018★ 6 cited

Resonance dynamics of DCO ( $X^{2} A^{'}$ ) simulated with the dynamically pruned discrete variable representation (DP-DVR)

Henrik R. Larsson, Jens Riedel, Jie Wei +2

Selected resonance states of the deuterated formyl radical in the electronic ground state ( $X^{2} A^{'}$ ) are computed using our recently introduced dynamically pruned di…

physics.chem-ph2016★ 43 cited

Efficient molecular quantum dynamics in coordinate and phase space using pruned bases

Henrik R. Larsson, Bernd Hartke, David J. Tannor

We present an efficient implementation of dynamically pruned quantum dynamics, both in coordinate space and in phase space. We combine the ideas behind the biorthogonal von Neumann…

Resonance dynamics of DCO (X2A′) simulated with the dynamically pruned discrete variable representation (DP-DVR)

Efficient molecular quantum dynamics in coordinate and phase space using pruned bases

Resonance dynamics of DCO ( $X^{2} A^{'}$ ) simulated with the dynamically pruned discrete variable representation (DP-DVR)