48 research outputs found
Improved direct diabatization and coupled potential energy surfaces for the photodissociation of ammonia
Full text linkMultidimensional dynamics involving a conical intersection: Wavepacket calculations using the MCTDH method
No full textMultidimensional dynamics involving a conical intersection: Wavepacket calculations using the MCTDH method
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Non-Markovian Dynamics at a Conical Intersection: Ultrafast Excited-State Processes in the Presence of an Environment
No full textQuantum Molecular Dynamics on the Conically Intersecting Potential Energy Surfaces: Nonadiabatic Effects and Ultrafast Relaxation
No full textComputational Chemistry techniques: covering orders of magnitude in space, time, and accuracy
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