相关论文: Simulation of wavepacket tunneling of interacting …
We study the dynamic properties of a thermal autonomous machine made up of two quantum Brownian particles, each of which is in contact with an environment at different temperature and moves on a periodic sinusoidal track. When such tracks…
We study the quantum dynamics of diatomic molecule driven by a circularly polarized resonant electric field. We look for a quantum effect due to classical chaos appearing due to the overlapping of nonlinear resonances associated to the…
Time-symmetric quantum mechanics can be described in the usual Weyl--Wigner--Moyal formalism (WWM) by using the properties of the Wigner distribution, and its generalization, the cross-Wigner distribution. The use of the latter makes clear…
General molecular dynamic approach, making possible direct calculation of eigen values and eigen functions for a quantum-mechanical system of an arbitrary symmetry is proposed. The method is based on analogy between discrete representation…
Rutherford scattering is usually described by treating the projectile either classically or as quantum mechanical plane waves. Here we treat them as wave packets and study their head-on collisions with the stationary target nuclei. We…
A method to approximate transmission probabilities for a nonseparable multidimensional barrier is applied to a waveguide model. The method uses complex barrier-crossing orbits to represent reaction probabilities in phase space and is…
We model the dynamics of a closed quantum system brought out of mechanical equilibrium, undergoing a non-driven, spontaneous, thermodynamic transformation. In particular, we consider a quantum particle in a box with a moving and insulating…
A combined approach that uses the vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) method together with the semiclassical instanton theory was developed to study vibrational tunneling spectra of…
The contribution of nuclear quantum effects (NQEs) to the properties of various hydrogen-bound systems, including biomolecules, is increasingly recognized. Despite the development of many acceleration techniques, the computational overhead…
A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational…
Consistent dynamics which couples classical and quantum degrees of freedom exists, provided it is stochastic. This dynamics is linear in the hybrid state, completely positive and trace preserving. One application of this is to study the…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
We consider a minisuperspace model for a closed universe with small and positive cosmological constant, filled with a massive scalar field conformally coupled to gravity. In the quantum version of this model, the universe may undergo a…
The quantum dynamics of electron-nuclear systems is analyzed from the perspective of the exact factorization of the wavefunction, with the aim of defining gauge invariant equations of motion for both the nuclei and the electrons. For pure…
The solution of the Liouville equation for the ensemble of free particles is presented and the classical analog to the quantum accelerating Airy wave packet is constructed and discussed. Considering the motion of various classical packets…
Strong repelling interactions between a few fermions or bosons confined in two-dimensional circular traps lead to particle localization and formation of quantum Wigner molecules (QWMs) possessing definite point-group space symmetries. These…
In this paper a formalism for studying the dynamics of quantum systems coupled to classical spin environments is reviewed. The theory is based on generalized antisymmetric brackets and naturally predicts open-path off-diagonal geometric…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
We present a geometrical way of understanding the dynamics of wavefunctions in a free space, using the phase-space formulation of quantum mechanics. By visualizing the Wigner function, the spreading, shearing, the so-called "negative…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…