Related papers: Ehrenfest approach to open double-well dynamics
Ehrenfest Dynamics combined with real-time time-dependent density functional theory has proven to be a reliable tool to study non-adiabatic molecular dynamics with a reasonable computational cost. Among other possibilities, it allows for…
We describe a study motivated by our interest to examine the incompleteness of the Ehrenfest's theorem in quantum mechanics and to resolve a doubt regarding whether or not the hermiticity of the hamiltonian operator is sufficient to justify…
In a quantum charge pump, the periodic variation of two parameters that affect the phase of the electronic wavefunction causes the flow of a direct current. The operating mechanism of a quantum pump is based on quantum interference, the…
Many advanced quantum techniques feature non-Gaussian dynamics, and the ability to manipulate the system in that domain is the next-stage in many experiments. One example of meaningful non-Gaussian dynamics is that of a double-well…
Two classical stochastic processes are considered, the Ehrenfest process, introduced in 1907 in the kinetic theory of gases to describe the heat exchange between two bodies and the Engset process, one of the early (1918) stochastic models…
Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent…
Linear and nonlinear electronic spectra provide an important tool to probe the absorption and transfer of electronic energy. Here we introduce a pure state Ehrenfest approach to obtain accurate linear and nonlinear spectra that is…
By using numerical and semiclassical methods, we evaluate the quantum breaking, or Ehrenfest time for a wave packet localized around classical equilibrium points of autonomous one-dimensional systems with polynomial potentials. We find that…
Quantum thermodynamics aims to explore quantum features to enhance energy conversion beyond classical limits. While significant progress has been made, the understanding of caloric potentials in quantum systems remains incomplete. In this…
The usual paradigm of open quantum systems falls short when the environment is actually coupled to additional fields or components that drive it out of equilibrium. Here we explore the simplest such scenario, by considering a two level…
We describe vacuum fluctuations and photon-field correlations in interacting quantum mechanical light-matter systems, by generalizing the application of mixed quantum-classical dynamics techniques. We employ the multi-trajectory…
We analytically demonstrate the emergence of surface non-Hermitian boundary contributions that appear in an extended form of the quantum Ehrenfest theorem and are crucial (although so far overlooked) in the calculation of optical matrix…
Treated traditionally by the Ehrenfest approximation, dynamics of a one-dimensional molecular crystal model with off-diagonal exciton-phonon coupling is investigated in this work using the Dirac-Frenkel time-dependent variational principle…
Far out-of-equilibrium many-body quantum dynamics in isolated systems necessarily generate interferences beyond an Ehrenfest time scale, where quantum and classical expectation values diverge. Of great recent interest is the role these…
We generalize Ehrenfest's equations to systems having two work terms, i.e. systems with three degrees of freedom. For black holes with two work terms we obtain nine equations instead of two to be satisfied at the critical point of a second…
The thawed Gaussian Ehrenfest dynamics is a single-trajectory method that partially includes both nuclear quantum and electronically nonadiabatic effects by combining the thawed Gaussian wavepacket dynamics with Ehrenfest dynamics. First,…
Known force terms arising in the Ehrenfest dynamics of quantum electrons and classical nuclei, due to a moving basis set for the former, can be understood in terms of the curvature of the manifold hosting the quantum states of the…
We unravel the existence and nonequilibrium response of one-dimensional harmonically trapped droplet configurations in the presence of a central potential barrier or well. For fixed negative chemical potentials, it is shown that droplets…
We discuss the possibility of realizing a non-Hermitian, i.e. an open two-well system of ultra-cold atoms by enclosing it with additional time-dependent wells that serve as particle reservoirs. With the appropriate design of the additional…
Applying the theory of self-adjoint extensions of Hermitian operators to Koopman von Neumann classical mechanics, the most general set of probability distributions is found for which entropy is conserved by Hamiltonian evolution. A new…