Related papers: Spin-mapping approach for nonadiabatic molecular d…
Mixed quantum-classical models are widely used to reduce the computational cost of fully quantum simulations. However, their general applicability across different classes of problems remains an open question. Here, we address this issue…
We present a novel semiclassical phase-space surface hopping approach that goes beyond the Born-Oppenheimer approximation and all existing surface hopping formalisms. We demonstrate that working with a correct phase-space electronic…
A recently developed approach to the thermodynamics of open quantum systems, on the basis of the principle of minimal dissipation, is applied to the spin-boson model. Employing a numerically exact quantum dynamical treatment based on the…
We present a strategy for mapping the dynamics of a fermionic quantum system to a set of classical dynamical variables. The approach is based on imposing the correspondence relation between the commutator and the Poisson bracket, preserving…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…
The spin-boson model, describing a two-level system strongly coupled to a bosonic bath, is extensively studied as a paradigmatic dissipative quantum system, exhibiting rich dynamical behavior and even a localization transition in the strong…
We study the quantum dynamics of a non-interacting spin ensemble under the effect of a reservoir by applying the framework of the non-Hermitian Hamiltonian operators. Theoretically, the two-level model describes the quantum spin system and…
We address the development of geometric phases in classical and quantum magnetic moments (spin-1/2) precessing in an external magnetic field. We show that nonadiabatic dynamics lead to a topological phase transition determined by a change…
The recent experimental realization of spin-orbit coupling for ultracold atomic gases provides a powerful platform for exploring many interesting quantum phenomena. In these studies, spin represents spin vector (spin-1/2 or spin-1) and…
We propose a semiclassical framework for solving open quantum dynamics in driven-dissipative spin systems. Our method consists of generalized spin-wave approximations tailored to describing quantum trajectories unravelled from the master…
A quantum two-level system immersed in a sub-Ohmic bath experiences enhanced low-frequency quantum statistical fluctuations which render the nonequilibrium quantum dynamics highly non-Markovian. Upon using the numerically exact…
An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced electronic states. We propose a mixed quantum-classical scheme…
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…
We focus on quantum systems that can be effectively described as a localized spin-$s$ particle subject to a static magnetic field coplanar to a coexisting elliptically rotating time-periodic field. Depending on the values taken on by the…
Nonadiabatic molecular dynamics simulations aim to describe the coupled electron-nuclear dynamics of molecules in excited electronic states. These simulations have been applied to understand a plethora of photochemical and photophysical…
Dynamical maps describe general transformations of the state of a physical system, and their iteration can be interpreted as generating a discrete time evolution. Prime examples include classical nonlinear systems undergoing transitions to…
Following on from our recent work, we investigate a stochastic approach to non-equilibrium quantum spin systems. We show how the method can be applied to a variety of physical observables and for different initial conditions. We provide…
It is shown that the 2 X 2 matrix Hamiltonian describing the dynamics of a charged spin 1/2 particle with g-factor 2 moving in an arbitrary, spatially dependent, magnetic field in two spatial dimensions can be written as the anticommuator…
Strong coupling between a system and its environment leads to the emergence of non-Markovian dynamics, which cannot be described by a time-local master equation. One way to capture such dynamics is to use numerical real-time path integrals,…