Related papers: Statistics and Nos\'e formalism for Ehrenfest dyna…
In this work we make a high precision numerical study of the Ehrenfest theorem using the Bohmian approach, where we obtain classical solutions from the quantum trajectories performing the Bohmian averages. We analyse the one-dimensional…
In this article, we consider a set of trial wave-functions denoted by $| Q \right>$ and an associated set of operators $A_\alpha$ which generate transformations connecting those trial states. Using variational principles, we show that we…
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…
We provide an answer to the long standing problem of mixing quantum and classical dynamics within a single formalism. The construction is based on p-mechanical derivation (quant-ph/0212101, quant-ph/0304023) of quantum and classical…
In this initial paper in a series, we first discuss why classical motions of small particles should be treated statistically. Then we show that any attempted statistical description of any nonrelativistic classical system inevitably yields…
The time-dependent variational principle using generalized Gaussian trial functions yields a finite dimensional approximation to the full quantum dynamics and is used in many disciplines. It is shown how these 'semi-quantum' dynamics may be…
A general formalism is developed for constructing modified Hamiltonian dynamical systems which preserve a canonical equilibrium distribution by adding a time evolution equation for a single additional thermostat variable. When such systems…
We propose a prescription to quantize classical monomials in terms of symmetric and ordered expansions of non-commuting operators of a bosonic theory. As a direct application of such quantization rules, we quantize a classically time…
In static classical statistical systems the problem of information transport from a boundary to the bulk finds a simple description in terms of wave functions or density matrices. While the transfer matrix formalism is a type of Heisenberg…
We present a consistent formalism to describe the dynamics of hybrid systems with mixed classical and quantum degrees of freedom. The probability function of the system, which, in general, will be a combination of the classical distribution…
We give a mathematically rigorous derivation of Ehrenfest's equations for the evolution of position and momentum expectation values, under general and natural assumptions which include atomic and molecular Hamiltonians with Coulomb…
The classical and quantum evolution of a generic probability distribution is analyzed. To that end, a formalism based on the decomposition of the distribution in terms of its statistical moments is used, which makes explicit the differences…
We use the global stochastic analysis tools introduced by P. A. Meyer and L. Schwartz to write down a stochastic generalization of the Hamilton equations on a Poisson manifold that, for exact symplectic manifolds, are characterized by a…
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one and three dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three…
We introduce the Poisson bracket operator which is an alternative quantum counterpart of the Poisson bracket. This operator is defined using the operator derivative formulated in quantum analysis and is equivalent to the Poisson bracket in…
Quantum and classical systems evolving under the same formal Hamiltonian $H$ may dramatically differ after the Ehrenfest timescale $t_E \sim \log(\hbar^{-1})$, even as $\hbar \to 0$. Coupling the system to a Markovian environment results in…
Describing partially-condensed Bose gases poses a long-standing theoretical challenge. We present exact stochastic Ehrenfest relations for the stochastic projected Gross-Pitaevskii equation, including both number and energy damping…
The mean-field dynamics of a Bose gas is shown to break down at time $\tau_h = (c_1/\gamma) \ln N$ where $\gamma$ is the Lyapunov exponent of the mean-field theory, $N$ is the number of bosons, and $c_1$ is a system-dependent constant. The…
A classical particle system coupled with a thermostat driven by an external constant force reaches its steady state when the ensemble-averaged drift velocity does not vary with time. The statistical mechanics of such a system is derived…
We provide an Information-Geometric formulation of Classical Mechanics on the Riemannian manifold of probability distributions, which is an affine manifold endowed with a dually-flat connection. In a non-parametric formalism, we consider…