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

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

Selected resonance states of the deuterated formyl radical in the electronic ground state ($\widetilde{X}\,{}^2A'$) are computed using our recently introduced dynamically pruned discrete variable representation (DP-DVR) [H. R. Larsson, B. Hartke and D. J. Tannor, J. Chem. Phys., 145, 204108 (...

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Veröffentlicht in:	arXiv.org 2018-05
Hauptverfasser:	Larsson, Henrik R, Riedel, Jens, Wei, Jie, Temps, Friedrich, Hartke, Bernd
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity Computer simulation Coupling Decay Deuteration Digital video recorders Kinetic energy Physics - Chemical Physics Representations Stimulated emission
Online-Zugang:	Volltext
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Resonance dynamics of DCO (\(\widetilde{X}\,{}^2A'\)) simulated with the dynamically pruned discrete variable representation (DP-DVR)