Related papers: A multi-band semiclassical model for surface hoppi…
We explore topological transitions in parameter space in order to enable adiabatic passages between regions adiabatically disconnected within a given parameter manifold. To this end, we study the Hamiltonian of two coupled qubits…
We propose a method which combines the quantum-classical mapping approach to surface hopping (MASH) with the dissipative quantum dynamics of the Lindblad master equation. Like conventional surface-hopping methods, our approach is based on…
The goal of this article is to investigate the dynamics of semi-relativistic or non-relativistic charged particles in interaction with a scalar meson field. Our main contribution is the derivation of the classical dynamics of a…
The quantum mechanical counterpart of the famous Stoner-Wohlfarth model -- an easy-axis magnet in a tilted magnetic field -- is studied theoretically and through simulations, as a function of the spin-size $S$ in a sweeping longitudinal…
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…
We describe a numerical method which allows us to go beyond the classical approximation for the real-time dynamics of many-body systems by approximating the many-body Wigner function by the most general Gaussian function with time-dependent…
The quantum phase transition from the Mott insulator state to the superfluid in the Bose-Hubbard model is investigated. We research one, two and three dimensional lattices in the truncated Wigner approximation. We compute both kinetic and…
We present a preliminary surface-hopping approach for modeling intersystem crossing (ISC) dynamics between four electronic states: one singlet and one (triply degenerate) triplet. In order to incorporate all Berry force effects, the…
The formalism of generalized Wigner transformations developped in a previous paper, is applied to kinetic equations of the Lindblad type for quantum harmonic oscillator models. It is first applied to an oscillator coupled to an equilibrium…
Semiclassical approximations for various representations of a quantum state are constructed on a single (Lagrangian) surface in phase space, but it is not available for chaotic systems. An analogous evolution surface underlies semiclassical…
A controlled hybridization between full quantum dynamics and semiclassical approaches (mean-field and truncated Wigner) is implemented for interacting many-boson systems. It is then demonstrated how simulating the resulting hybrid evolution…
Adiabatic evolution is an emergent design principle for time modulated metamaterials, often inspired by insights from topological quantum computing such as braiding operations. However, the pursuit of classical adiabatic metamaterials is…
A theoretical justification of the empirical surface hopping method for the laser-driven molecular dynamics is given utilizing the formalism of the exact factorization of the molecular wavefunction [Abedi et al., PRL $\textbf{105}$, 123002…
Understanding the behavior of interacting fermions is of fundamental interest in many fields ranging from condensed matter to high energy physics. Developing numerically efficient and accurate simulation methods is an indispensable part of…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt with quantum…
In this letter we give a systematic derivation and justification of the semiclassical model for the slow degrees of freedom in adiabatic slow-fast systems first found by Littlejohn and Flynn [5]. The classical Hamiltonian obtains a…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
A nonlinear Landau-Zener model was proposed recently to describe, among a number of applications, the nonadiabatic transition of a Bose-Einstein condensate between Bloch bands. Numerical analysis revealed a striking phenomenon that…