Related papers: Surface hopping from the perspective of quantum-cl…
Non-adiabatic chemical reactions involving continuous circularly polarized light (cw CPL) have not attracted as much attention as dynamics in unpolarized/linearly polarized light. However, including circularly (in contrast to linearly)…
In this work we derive a mathematical model for an open system that exchanges particles and momentum with a reservoir from their joint Hamiltonian dynamics. The complexity of this many-particle problem is addressed by introducing a…
Non-adiabatic dynamics simulations have become a standard approach to explore photochemical reactions. Such simulations require underlying potential energy surfaces and couplings between them, calculated at a chosen level of theory, yet…
Aspects of the Nos\'e and Nos\'e-Hoover dynamics developed in 1983-1984 along with Dettmann's closely related dynamics of 1996, are considered. We emphasize paradoxes associated with Liouville's Theorem. Our account is pedagogical, focused…
The approach to a substantiation of thermodynamics is offered. A conservative system of interacting elements, which is not in equilibrium, is used as a model. This system is then split into small subsystems that are accepted as being in…
Using the subdynamical kinetic equation for an open quantum system, a formulation is presented for performing decoherence-free (DF) quantum computing in Rigged Liouville Space (RLS). Three types of interactions were considered, and in each…
Stochastic evolution underpins several approaches to the dynamics of open quantum systems, such as random modulation of Hamiltonian parameters, the stochastic Schrodinger equation (SSE), and the stochastic Liouville equation (SLE). These…
A model of a relativistic particle moving in the Liouville field is investigated. Symmetry group of the system is $SL(2,R)/Z_2$. The corresponding dynamical integrals describe full set of classical trajectories. Dynamical integrals are used…
A damped and driven collective spin system is analyzed by using quantum state diffusion. This approach allows for a mostly analytical treatment of the investigated non-equilibrium quantum many body dynamics, which features a phase…
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…
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…
This paper investigates the long time dynamics of interacting particle systems subject to singular interactions. We consider a microscopic system of $N$ interacting point particles, where the time evolution of the joint distribution…
This short review covers a wide selection of topics from a multidisciplinary area of dynamics of nonequilibrium systems in physics, chemistry, biology. Theoretical models of colloid particle and protein deposition and adhesion at surfaces,…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…
A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville von Neumann methodology is used to…
We simulate the center of mass motion of cold atoms in a standing, amplitude modulated, laser field as an example of a system that has a classical mixed phase-space. We show a simple model to explain the momentum distribution of the atoms…
We show that a simple approximation based on concepts underlying the Kibble-Zurek theory of second order phase transition dynamics can be used to treat avoided level crossing problems. The approach discussed in this paper provides an…
The problem of response of nonequilibrium systems is currently under intense investigation. We propose a general method of solution of the Liouville Equation for thermostatted particle systems subjected to external forces which retains only…
The Liouville equation is of fundamental importance in the derivation of continuum models for physical systems which are approximated by interacting particles. However, when particles undergo instantaneous interactions such as collisions,…