Fewest switches surface hopping 2

improved fewest switches surface hopping trajectories for quantum-classical dynamics.

Community: MathModDB

mathematical model

Available identifiers

MaRDI QIDQ6775433FDOQ6775433

Contained entities

light particle nonadiabatic criterion 2	$P>r$
	$P$ represents light particle nonadiabatic probability 2
	$r$ represents random number
light particle TISE	$\hat{h}(r;R)|{\varphi }_n(R){⟩}_r=E_n(R)|{\varphi }_n(R){⟩}_r$
	$E$ represents light particle eigen energy
	$\hat{h}$ represents light particle Hamiltonian
	$R$ represents heavy particle position
	$n$ represents quantum number
	$r$ represents light particle position
	$|\varphi ⟩$ represents light particle eigen state
heavy particle Newton equation	$\frac{{\mathrm{d}}^{\mathrm{2}}}{\mathrm{d}{t}^2}\overrightarrow{q}=\overrightarrow{F}/M$
	$F$ represents heavy particle mean force
	$M$ represents heavy particle mass
	$t$ represents time
	$q$ represents heavy particle position

Computational tasks

heavy particle propagation, heavy particle velocity adjustment, light particle nonadiabatic transitions

References

FSSH-2: Fewest Switches Surface Hopping with Robust Switching Probability

Related URL

https://en.wikipedia.org/wiki/Surface_hopping
https://www.wikidata.org/wiki/Q17155550

Further links

Item	Property
mixed quantum-classical dynamics	specialized by

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