Resonance dynamics of DCO (X̃ 2A') simulated with the dynamically pruned discrete variable representation (DP-DVR).
Larsson HR, Riedel J, Wei J, Temps F, Hartke B.
Larsson HR, et al. Among authors: hartke b.
J Chem Phys. 2018 May 28;148(20):204309. doi: 10.1063/1.5026459.
J Chem Phys. 2018.
PMID: 29865822
Selected resonance states of the deuterated formyl radical in the electronic ground state X( 2)A(') are computed using our recently introduced dynamically pruned discrete variable representation [H. R. Larsson, B. Hartke, and D. J. Tannor, J. Chem. Phys. 145, 204108 …
Selected resonance states of the deuterated formyl radical in the electronic ground state X( 2)A(') are computed using our recently introduc …