Pickaback Integrator for Quantum-Classical Dynamics (Q6775622): Difference between revisions

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Changed claim: defining formula (P989): \begin{align} q\left(t+\frac{\Delta t}{2}\right) &=& q(t)+\frac{\Delta t}{2} \frac{p(t)}{M} \\ \psi\left(t+\frac{\Delta t}{2}\right) &=& \exp \left( - \frac{\mathrm{i}}{\hbar} \frac{\Delta t}{2} \hat{t}\right) \psi(t) \\ p(t+\Delta t) &=& p(t) + \Delta t F(t+\frac{\Delta t}{2}) \\ \psi(t+\Delta t) &=& \exp \left( - \frac{\mathrm{i}}{\hbar} \frac{\Delta t}{2} \hat{t}\right) \exp \left( - \frac{\mathrm{i}}{\hbar} \Delta t V\left(t+\frac{\Delta t}{...
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Revision as of 10:07, 15 October 2025

symplectic time integration scheme for mean-field or Ehrenfest approach to quantum-classical dynamics
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Pickaback Integrator for Quantum-Classical Dynamics
symplectic time integration scheme for mean-field or Ehrenfest approach to quantum-classical dynamics

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    q(t+Δt2)=q(t)+Δt2p(t)Mψ(t+Δt2)=exp(iΔt2t^)ψ(t)p(t+Δt)=p(t)+ΔtF(t+Δt2)ψ(t+Δt)=exp(iΔt2t^)exp(iΔtV(t+Δt2))ψ(t+Δt2)q(t+Δt)=q(t+Δt2)+Δt2p(t+Δt)M
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