Related papers: An Efficient Time-splitting Method for the Ehrenfe…
The new numerical approach for consideration of quantum dynamics and calculations of the average values of quantum operators and time correlation functions in the Wigner representation of quantum statistical mechanics has been developed.…
In the context of unitary evolution of a generic quantum system interrupted at random times with non-unitary evolution due to interactions with either the external environment or a measuring apparatus, we adduce a general theoretical…
An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
We consider a quantization of relativistic wave equations which allows to treat quantum fields together with interacting particles at a finite time. We discuss also a dissipative interaction with the environment. We introduce a stochastic…
The quantum-classical Liouville equation describes the dynamics of a quantum subsystem coupled to a classical environment. It has been simulated using various methods, notably, surface-hopping schemes. A representation of this equation in…
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…
We consider semiclassically scaled Schrodinger equations with an external potential and a highly oscillatory periodic potential. We construct asymptotic solutions in the form of semiclassical wave packets. These solutions are concentrated…
We describe an iterative approach to computing long-time semiclassical dynamics in the presence of chaos, which eliminates the need for summing over an exponentially large number of classical paths, and has good convergence properties even…
Schroedinger equation on a Hilbert space ${\cal H}$, represents a linear Hamiltonian dynamical system on the space of quantum pure states, the projective Hilbert space $P {\cal H}$. Separable states of a bipartite quantum system form a…
Using a coupling for the weighted sum of independent random variables and the explicit expression of the transition semigroup of Ornstein-Uhlenbeck processes driven by compound Poisson processes, we establish the existence of a successful…
Quantum mechanics has been formulated in phase space, with the Wigner function as the representative of the quantum density operator, and classical mechanics has been formulated in Hilbert space, with the Groenewold operator as the…
This work considers numerical methods for the time-dependent Schr\"{o}dinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensurate problem is lifted to a higher dimension that…
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…
In this paper, one of the major shortcomings of the conventional numerical approaches is alleviated by introducing the probabilistic nature of molecular transitions into the framework of classical computational electrodynamics. The main aim…
The Landau-Lifshitz equation describes the time-evolution of magnetic dipoles, and can be derived by taking the classical limit of a quantum mechanical spin Hamiltonian. To take this limit, one constrains the many-body quantum state to a…
We propose two novel data-driven dynamic mode decomposition (DMD)-type methods, the Crank--Nicolson DMD and the semi-implicit DMD, to predict the highly oscillatory dynamics of the semiclassical Schr\"odinger equations efficiently and…
In this study, a variety of methods are tested and compared for the numerical solution of the Schr\"odinger equation for few-body systems with explicitely time-dependent Hamiltonians, with the aim to find the optimal one. The configuration…
The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the…
The characterization of open quantum systems is a central and recurring problem for the development of quantum technologies. For time-independent systems, an (often unique) steady state describes the average physics once all the transient…
We investigate the application of deformation quantization to the system of a free particle evolving within a universe described by a Friedmann-Lemaitre-Robertson-Walker (FLRW) geometry. This approach allows us to analyze the dynamics of…