相关论文: Relation of centroid molecular dynamics and ring-p…
We describe quantum and classical Hamiltonian dynamics in a common Hilbert space framework, that allows the treatment of mixed quantum-classical systems. The analysis of some examples illustrates the possibility of entanglement between…
It is demonstrated how all the mechanical equations of classical electrodynamics (CEM) may be derived from only Coulomb's inverse square force law, special relativity and Hamilton's Principle. The instantaneous nature of the Coulomb force…
We derive a "classical-quantum" approximation scheme for a broad class of bipartite quantum systems from fully quantum dynamics. In this approximation, one subsystem evolves via classical equations of motion with quantum corrections, and…
We compare the classical (mean-field) dynamics with the quantum dynamics of atomic Bose-Einstein condensates in double-well potentials. The quantum dynamics are computed using a simple scheme based upon the Raman-Nath equations. Two…
We investigate the relaxation dynamics of a Rydberg gas in regimes where coherent processes and dissipation compete. In the strongly dissipative limit, the dynamics is known to be governed by an effective classical rate equation and to…
We present a derivation of the Redfield formalism for treating the dissipative dynamics of a time-dependent quantum system coupled to a classical environment. We compare such a formalism with the master equation approach where the…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
We study the dynamics of the three-dimensional polaron - a quantum particle coupled to bosonic fields - in the quasi-classical regime. In this case the fields are very intense and the corresponding degrees of freedom can be treated…
Thermal fluctuations play a central role in fluid dynamics at mesoscopic scales and must be incorporated into numerical schemes in a manner consistent with statistical mechanics. In this work, we develop a fluctuating lattice Boltzmann…
Orbital dynamics in time-reversal-symmetric centrosymmetric systems is examined theoretically. Contrary to common belief, we demonstrate that many aspects of orbital dynamics are qualitatively different from spin dynamics because the…
We present a new hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of spherical colloidal particles. The solvent is modeled on the level of the lattice-Boltzmann method while the…
A direct comparison of quantum and classical dynamical systems can be accomplished through the use of distribution functions. This is useful for both fundamental investigations such as the nature of the quantum-classical transition as well…
In a recent work [D. Malpetti and T. Roscilde, arXiv:1605.04223] we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part, and a quantum part -- and that…
Quantum systems coupled to environments exhibit intricate dynamics. The master equation gives a Markov approximation of the dynamics, allowing for analytic and numerical treatments. It is ubiquitous in theoretical and applied quantum…
Simulating quantum many-body dynamics is important both for fundamental understanding of physics and practical applications for quantum information processing. Therefore, classical simulation methods have been developed so far.…
Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy transfer, hindered rotation and hindered translation over…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
In a previous article [J. Chem. Phys. 138, 084108 (2013)], we showed that the $t\to 0_+$ limit of ring-polymer molecular dynamics (RPMD) rate-theory is also the $t\to 0_+$ limit of a new type of quantum flux-side time-correlation function,…
Born-Oppenheimer dynamics is shown to provide an accurate approximation of time-independent Schr\"odinger observables for a molecular system with an electron spectral gap, in the limit of large ratio of nuclei and electron masses, without…
A practical method to solve cut-off Coulomb problems of two-cluster systems in the momentum space is given. When a sharply cut-off Coulomb force with a cut-off radius $\rho$ is introduced at the level of constituent particles, two-cluster…