Light particle propagation

propagating the (quantum!) state of the light particle(s) in quantum-classical dynamics models

Description

Note that in quantum-classical dynamics the effective Hamiltonian governing the quantum dynamics of the light particles parametrically depends on the heavy particle(s) positions.

The electrons are usually treated by a local approximation of the TDSE, i.e., they depend only on the electronic forces and couplings at the instantaneous position of the nuclei.

Contained entities

light particle TISE	$\hat{h} (r; R) \| ϕ_{n} (R) ⟩_{r} = E_{n} (R) \| ϕ_{n} (R) ⟩_{r}$
	$E$ 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
	$\| ϕ ⟩$ represents light particle eigen state

Further links

Item	Property
mean-field Ehrenfest	used by

Edit light particle propagation item

This page was built for task: light particle propagation