Molecular dynamics with electronic transitions

Tully, J. C. (1990). Molecular dynamics with electronic transitions. The Journal of Chemical Physics.

Type

Journal article

Intellectual base

Primary research

Year

1990

DOI

10.1063/1.459170

Link

https://doi.org/10.1063/1.459170

Cited by

1 citation across 1 artifact.

Domain-specific

• Mixed Quantum–Classical Dynamics
  • A stochastic hopping rule changes the active surface according to population flow, with momentum adjustment and frustrated-hop handling defined by the implementation

Verification

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Registry ID ref:87be77630709 · see in the full table