Related papers: Electronic decoherence along a single nuclear traj…

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…

We discuss the evolution of purity in mixed quantum/classical approaches to electronic nonadiabatic dynamics in the context of the Ehrenfest model. As it is impossible to exactly determine initial conditions for a realistic system, we…

We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…

In previous works, we introduced a geometric route to define our Ehrenfest Statistical Dynamics (ESD) and we proved that, for a simple toy-model, the resulting ESD does not preserve purity. We now take a step further: we investigate…

We propose mixed quantum-classical equations of motion that unify electronic coherence and phase evolution simultaneously within the exact factorization framework. Our derivation shows that incorporating the second-order electron-nuclear…

Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…

We introduce a theory that exposes the fundamental and previously overlooked connection between the correlation among electrons and the degree of quantum coherence of electronic states in matter. For arbitrary states, the effects only…

Photoionization using attosecond pulses can lead to the formation of coherent superpositions of the electronic states of the parent ion. However, ultrafast electron ejection triggers not only electronic but also nuclear dynamics---leading…

This study was started to know mysterious classicality of nuclei. This time, I found a new rule for decoherence. I used a model without chaos. As a result, it was shown that not only the intersection of classical trajectories but also…

Decoherence is the process by which quantum systems interact and become correlated with their external environments; quantum trajectories are a powerful technique by which decohering systems can be resolved into stochastic evolutions,…

Decoherence is the phenomenon of non-unitary dynamics that arises as a consequence of coupling between a system and its environment. It has important harmful implications for quantum information processing, and various solutions to the…

We analyze a mixed quantum-classical algorithm recently derived from the exact factorization equations [Min, Agostini, Gross, PRL {\bf 115}, 073001 (2015)] to show the role of the different terms in the algorithm in bringing about…

We study decoherence induced by a dynamic environment undergoing a quantum phase transition. Environment's susceptibility to perturbations - and, consequently, efficiency of decoherence - is amplified near a critical point. Over and above…

It is commonly believed that decoherence arises as a result of the entangling interaction between a quantum system and its environment, as a consequence of which the environment effectively measures the system, thus washing away its quantum…

Interference is a universal consequence of superposition, yet in composite quantum systems it can encode correlations between subsystems. We show that in coupled electron-nuclear dynamics, interference in the nuclear density can arise…

Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability…

We systematically investigate the universal spin decoherence dynamics of a localized electron in an arbitrary nuclear spin bath, which can be even far away from equilibrium due to the weak nuclear-lattice interaction. We show that the…

A complete theoretical treatment in many problems relevant to physics, chemistry, and biology requires considering the action of the environment over the system of interest. Usually the environment involves a relatively large number of…

Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…

The consistent histories formalism can be used to describe histories comprised of events across many systems, times, and places, plausibly rich enough to describe our experiences of the classical world; however, many consistent history sets…