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Page 1
Quantum-Classical Hybrid Systems and Ehrenfest's Theorem.
Sergi A, Lamberto D, Migliore A, Messina A. Sergi A, et al. Entropy (Basel). 2023 Apr 1;25(4):602. doi: 10.3390/e25040602. Entropy (Basel). 2023. PMID: 37190388 Free PMC article.
For example, the orthodox interpretation of measurements requires the transient creation of quantum-classical hybrids. Despite its limitations in defining the classical limit, Ehrenfest's theorem makes the simplest contact between quantum and classical mechan …
For example, the orthodox interpretation of measurements requires the transient creation of quantum-classical hybrids. Despite its limitatio …
Pauli's Electron in Ehrenfest and Bohm Theories, a Comparative Study.
Yahalom A. Yahalom A. Entropy (Basel). 2023 Jan 18;25(2):190. doi: 10.3390/e25020190. Entropy (Basel). 2023. PMID: 36832557 Free PMC article.
Here we compare two approaches, one of which is the more conservative Copenhagen's interpretation denying a trajectory of the electron but allowing a trajectory to the electron expectation value through the Ehrenfest theorem. The said expectation value is of course …
Here we compare two approaches, one of which is the more conservative Copenhagen's interpretation denying a trajectory of the electron but a …
Nonlinear Ehrenfest's urn model.
Casas GA, Nobre FD, Curado EM. Casas GA, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Apr;91(4):042139. doi: 10.1103/PhysRevE.91.042139. Epub 2015 Apr 28. Phys Rev E Stat Nonlin Soft Matter Phys. 2015. PMID: 25974470
Ehrenfest's urn model is modified by introducing nonlinear terms in the associated transition probabilities. It is shown that these modifications lead, in the continuous limit, to a Fokker-Planck equation characterized by two competing diffusion terms, namely, the u …
Ehrenfest's urn model is modified by introducing nonlinear terms in the associated transition probabilities. It is shown that …
Nonadiabatic Field on Quantum Phase Space: A Century after Ehrenfest.
Wu B, He X, Liu J. Wu B, et al. J Phys Chem Lett. 2024 Jan 18;15(2):644-658. doi: 10.1021/acs.jpclett.3c03385. Epub 2024 Jan 11. J Phys Chem Lett. 2024. PMID: 38205956 Review.
Nonadiabatic transition dynamics lies at the core of many electron/hole transfer, photoactivated, and vacuum field-coupled processes. About a century after Ehrenfest proposed "Phasenraum" and the Ehrenfest theorem, we report a conceptually novel trajectory-ba …
Nonadiabatic transition dynamics lies at the core of many electron/hole transfer, photoactivated, and vacuum field-coupled processes. About …
Forces in molecules.
Hernández-Trujillo J, Cortés-Guzmán F, Fang DC, Bader RF. Hernández-Trujillo J, et al. Faraday Discuss. 2007;135:79-95; discussion 125-49, 503-6. doi: 10.1039/b604996f. Faraday Discuss. 2007. PMID: 17328425
The virial theorem relates these forces to the energy changes resulting from interactions between atoms. All bonding, as signified by the presence of a bond path, has a common origin in terms of the mechanics determined by the Ehrenfest, Feynman and virial theore …
The virial theorem relates these forces to the energy changes resulting from interactions between atoms. All bonding, as signified by …
Ehrenfest modeling of cavity vacuum fluctuations and how to achieve emission from a three-level atom.
Hsieh MH, Krotz A, Tempelaar R. Hsieh MH, et al. J Chem Phys. 2023 Dec 14;159(22):221104. doi: 10.1063/5.0175145. J Chem Phys. 2023. PMID: 38084810
A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed quantum-classical dynamics, where a classical cavity field interacts self-consistently with quantum states of matter through Ehrenfest …
A much-needed solution for the efficient modeling of strong coupling between matter and optical cavity modes is offered by mean-field mixed …
Ring Polymer Molecular Dynamics with Electronic Transitions.
Zhao R, You P, Meng S. Zhao R, et al. Phys Rev Lett. 2023 Apr 21;130(16):166401. doi: 10.1103/PhysRevLett.130.166401. Phys Rev Lett. 2023. PMID: 37154659
A new scheme is developed for nonadiabatic simulations of coupled electron-nuclear quantum dynamics with electronic transitions based on the Ehrenfest theorem and ring polymer molecular dynamics. Built upon the isomorphic ring polymer Hamiltonian, time-dependent mul …
A new scheme is developed for nonadiabatic simulations of coupled electron-nuclear quantum dynamics with electronic transitions based on the …
Evaluating the Adiabatic Invariants in Magnetized Plasmas Using a Classical Ehrenfest Theorem.
Tamburrini A, Davis S, Moya PS. Tamburrini A, et al. Entropy (Basel). 2023 Nov 18;25(11):1559. doi: 10.3390/e25111559. Entropy (Basel). 2023. PMID: 37998251 Free PMC article.
Based on the conjugate variable theorem and the well-known fluctuation-dissipation theorem, this procedure offers a less expensive way of deriving time evolution Equations for macroscopic properties in systems far from equilibrium. We investigate the application of …
Based on the conjugate variable theorem and the well-known fluctuation-dissipation theorem, this procedure offers a less expen …
Nonlinear Non-Equilibrium Thermodynamics Based on the Ehrenfest-Klein Model.
Zhernokleev GA, Martyushev LM. Zhernokleev GA, et al. Entropy (Basel). 2020 Mar 2;22(3):293. doi: 10.3390/e22030293. Entropy (Basel). 2020. PMID: 33286067 Free PMC article.
Nonlinear non-equilibrium thermodynamic relations have been constructed based on the generalized Ehrenfest-Klein model. Using these relations, the behavior of the entropy and its production in time at arbitrary deviations from equilibrium has been studied. It has been show …
Nonlinear non-equilibrium thermodynamic relations have been constructed based on the generalized Ehrenfest-Klein model. Using these r …
A reciprocal-space formulation of mixed quantum-classical dynamics.
Krotz A, Provazza J, Tempelaar R. Krotz A, et al. J Chem Phys. 2021 Jun 14;154(22):224101. doi: 10.1063/5.0053177. J Chem Phys. 2021. PMID: 34241207
Taking these variables as a Fourier series then yields the reciprocal-space coordinates. Evaluating the electron-phonon interaction term through Ehrenfest's theorem, we arrive at a reciprocal-space formalism that is equivalent to mean-field mixed quantum-clas …
Taking these variables as a Fourier series then yields the reciprocal-space coordinates. Evaluating the electron-phonon interaction term thr …
44 results