Classical dynamics model

mathematical model of a system of point masses, subject to forces deriving from some potential energy function

Contained entities

initial condition for classical density	$ρ (t = 0) = ρ_{0}$	initial condition
	$ρ$ represents classical density (phase space)
	$t$ represents time
	$ρ_{0}$ represents initial value of classical density

Newton second law of motion for constant mass	$\frac{d^{2}}{d t^{2}} \vec{q} = \vec{F} / m$
	$F$ represents force acting on a particle
	$m$ represents mass
	$q$ represents particle position
	$t$ represents time

Hamilton's equations	$\begin{matrix} \frac{d 𝒒}{d t} & = & + \frac{\partial ℋ}{\partial 𝒑} \\ \frac{d 𝒑}{d t} & = & - \frac{\partial ℋ}{\partial 𝒒} \end{matrix}$
	$ℋ$ represents Hamiltonian function
	$p$ represents particle momentum
	$q$ represents particle position
	$t$ represents time

initial condition for position	$q (t = 0) = q_{0}$	initial condition
	$q$ represents particle position
	$t$ represents time
	$q_{0}$ represents initial value of position

initial condition for momentum	$p (t = 0) = p_{0}$	initial condition
	$p$ represents particle momentum
	$t$ represents time
	$p_{0}$ represents initial value of momentum

Liouville equation	$\frac{d ρ}{d t} = \frac{\partial ρ}{\partial t} + \sum_{i = 1}^{n} (\frac{\partial ρ}{\partial q_{i}} {\dot{q}}_{i} + \frac{\partial ρ}{\partial p_{i}} {\dot{p}}_{i})$
	$H$ represents Hamiltonian function
	$ρ$ represents classical density (phase space)
	$p$ represents particle momentum
	$q$ represents particle position
	$t$ represents time

Computational tasks

Assumptions

Further links

Item	Property
mixed quantum-classical dynamics	contains
molecular dynamics simulation	modelled by
molecular reaction dynamics	modelled by
molecular spectroscopy (transient)	modelled by
molecular spectrosopy (stationary)	modelled by
quantum model (closed system)	specialized by

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