Semiclassical Ehrenfest paths
نویسندگان
چکیده
منابع مشابه
Exponentially Accurate Semiclassical Dynamics: Propagation, Localization, Ehrenfest Times, Scattering, and More General States
We prove six theorems concerning exponentially accurate semiclassical quantum mechanics. Two of these theorems are known results, but have new proofs. Under appropriate hypotheses, they conclude that the exact and approximate dynamics of an initially localized wave packet agree up to exponentially small errors in h̄ for finite times and for Ehrenfest times. Two other theorems state that for such...
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Ehrenfest’s Theorems provide a bridge between quantum and classical mechanics. They relate time derivatives of expectation values to expectation values of appropriate operators. The expectation values are computed on quantum mechanical operators. The results assume a form “as close as possible” to the corresponding classical equations.
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We present an ab initio direct Ehrenfest dynamics scheme using a three time-step integrator. The three different time steps are implemented with nuclear velocity Verlet, nuclear-position-coupled midpoint Fock integrator, and time-dependent Hartree-Fock with a modified midpoint and unitary transformation algorithm. The computational cost of the ab initio direct Ehrenfest dynamics presented here ...
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Body: From a semiclassical path integral expression with Mayer-Miller-Stock-Thoss mapping variable in coherent state representation, we use linearized approximation which find the stationary mean path of the forward and backward trajectory, to achieve two different regimes which are similar to "Surface hopping" and "Ehrenfest dynamics" by different linearization procedure, however, avoid any ad...
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ژورنال
عنوان ژورنال: Physics Letters A
سال: 2013
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2013.04.009