Light Particle Nonadiabatic Probability 2
type: Item
instance of: quantity
instance of: continuous-space quantity
instance of: continuous-time quantity
defining formula: P m n ( t , t + Δ t ) ≡ ρ m m ( t ) − ρ m m ( t + Δ t ) ρ m m ( t ) c ( t + Δ t ) = exp ( − i E Δ t / ℏ ) Γ ( t , t + Δ t ) c ( t )
in defining formula: E
in defining formula: Δ t
in defining formula: ℏ
in defining formula: ρ
in defining formula: c
in defining formula: t
in defining formula: P
in defining formula: Γ
described by source: FSSH-2: Fewest Switches Surface Hopping with Robust Switching Probability
description: Numerical problems due to the (near) divergence of the nonadiabatic coupling tensor elements are circumvented here, thus allowing much longer time steps than in Tully's traditional FSSH-1.
community: MathModDB
MaRDI profile type: MaRDI quantity profile
description: FSSH-2 probability for a nonadiabatic transition of the light particle(s) subsystem, induced by the heavy particle(s) dynamics