light particle propagation

Community: MathModDB

computational task

Available identifiers

MaRDI QIDQ6775503

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.

List of contained entities

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

Related URL

https://en.wikipedia.org/wiki/Mixed_quantum-classical_dynamics
https://www.wikidata.org/wiki/Q65091550

Further items linking to light particle propagation

Item	Property
mean-field Ehrenfest	used by

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