Quantum Trajectory Approach to Molecular Dynamics Simulation with Surface Hopping

In this work we propose a quantum trajectory approach to the powerful molecular dynamics simulation with surface hopping, from an insight that an effective ＂observation＂ is actually implied in the simulation through tracking the forces experienced, just like checking the meter＇s result in quantum measurement process. This treatment can build the nonadiabatic surface hopping on a physical foundation, instead of the usual fictitious and conceptually inconsistent hopping algorithms. The effects and advantages of the proposed scheme are preliminarily illustrated by a two-surface model system.

Quantum Interference by Entangled Trajectories

The quantum interference pattern in the double-slit experiment is qualitatively reproduced by using the entangled trajectory molecular dynamics method and compared with previous works. We compare entangled trajectory and classical trajectory with the same initial state in the phase space to show quantum effect in the evolution of trajectories. It is involved with breakdown in the statistical independence of the trajectories. Although our result does not agree well with exact quantum calculation in quantitatively with loss of part of interference pattern peaks, we can offer a reasonable explanation by analyzing quantum interference of two Gaussian wave packets in the phase space.

Modified de Broglie-Bohm approach to the Schwarzschild black hole

A modified de Broglie-Bohm approach is generalized to the Schwarzschild black hole. By using this method, the quantum potential and the quantum trajectories of the black hole are investigated. And we find that the linear combination of two particular solutions of the black hole wavefunction is not physical although each of them is physical, if we think that the quantum gravity should reduce into its corresponding classical counterpart in which the gravity vanishes. It seems to confirm the argument, given by Alwis and MacIntire, that a possible resolution on the quantum gravity is to give up the superposition principle.

Role of potential on high-order harmonic generation from atoms irradiated by bichromatic counter-rotating circularly polarized laser fields

We investigate high-order harmonic generation from atoms irradiated by bichromatic counter-rotating circularly polarized laser pulses by numerically solving the time-dependent Schrödinger equation.It is found that the minimum energy position of the harmonic spectrum and the non-integer order optical radiation are greatly discrepant for different atomic potentials.By analyzing the quantum trajectory of the harmonic emission,discrepancies among the harmonic spectra from different potentials can be attributed to the action of the potential on the ionized electrons.In addition,based on the influence of the driving light intensity on the overall intensity and ellipticity of higher order harmonics,the physical conditions for generating a high-intensity circularly polarized harmonic can be obtained.

Classical behaviour of various variables in an open Bose-Hubbard system

Quantum dispersions of various sets of dynamical variables of an open Bose-Hubbard system in a classical limit are studied. To this end, an open system is described in terms of stochastic evolution of its quantum pure states. It is shown that the class of variables that display classical behaviour crucially depends on the type of noise. This is relevant in the mean-field approximation of open Bose-Hubbard dynamics.

Intrinsic product polarization and branch ratio in the S（~1D,~3P）＋HD reaction on three electronic states

The intrinsic product polarization and intramolecular isotope effect of the S（~1D,~3P） ＋ HD reaction have been investigated on both the lowest singlet state（1A） and the triplet state（3A and 3A） potential energy surfaces by using quasi-classical trajectory and quantum mechanical methods.The calculations indicate that intramolecular isotope effects are different on the three electronic states.The stereodynamics study shows that the P（θr） distributions,P（φ r） distributions,and polarization-dependent differential cross sections（PDDCSs）（00） are sensitive to mass factor and the product angular momentum vectors are not only aligned but also oriented.

On a tilted Liouville-master equation of open quantum systems

A tilted Liouville-master equation in Hilbert space is presented for Markovian open quantum systems.We demonstrate that it is the unraveling of the tilted quantum master equation.The latter is widely used in the analysis and calculations of stochastic thermodynamic quantities in quantum stochastic thermodynamics.