Related papers: Preferred Basis in Coupled Electron-Nuclear Dynami…
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…
Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in…
Coarse-grained descriptions can be used to account for physical processes in which information is lost or not entirely accessible. In this paper, we start by proposing a connection between effective, coarse-grained descriptions of quantum…
The mean field approximation is used to investigate the general features of the dynamics of a two-level atom in a ferromagnetic lattice close to the Curie temperature. Various analytical and numerical results are obtained. We first…
Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…
Mixed state quantum computation can perform certain tasks which are believed to be efficiently intractable on a classical computer. For a specific model of mixed state quantum computation, namely, {\it deterministic quantum computation with…
Nonequilibrium states of closed quantum many-body systems defy a thermodynamic description. As a consequence, constraints such as the principle of equal a priori probabilities in the microcanonical ensemble can be relaxed, which can lead to…
Non-adiabatic molecular phenomena, arising from the breakdown of the Born-Oppenheimer approximation, govern the fate of virtually all photo-physical and photochemical processes and limit the quantum efficiency of molecules and other…
We discuss nuclear dynamics at molecule-metal interfaces including non-equilibrium molecular junctions. Starting from the many-body states (pseudoparticle) formulation of the molecule-metal system in the molecular vibronic basis, we…
In conventional quantum optimal control theory, the parameters that determine an external field are optimised to maximise some predefined function of the trajectory, or of the final state, of a matter system. The situation changes in the…
Time evolution of initially prepared entangled state in the system of coupled quantum dots has been analyzed by means of two different theoretical approaches: equations of motion for the all orders localized electron correlation functions,…
Unitary control and decoherence appear to be irreconcilable in quantum mechanics. When a quantum system interacts with an environment, control strategies usually fail due to decoherence. In this letter, we propose a time-optimal unitary…
We introduce an alternative way to derive the generalized form of the master equation recently presented by J. P. Pekola et al. [Phys. Rev. Lett. 105, 030401 (2010)] for an adiabatically steered two-level quantum system interacting with a…
Quantum state control is a fundamental tool for quantum technologies. In this work, we propose and analyze the use of quantum optimal control to exploit the dipolar interaction of ultracold atoms on a lattice ring, focusing on the…
Optically-active solid-state systems such as self-assembled quantum dots, rare-earth ions, and color centers in diamond and SiC are promising candidates for quantum network, computing, and sensing applications. Although the nuclei in these…
Measurement-based quantum computation (MBQC) represents a powerful and flexible framework for quantum information processing, based on the notion of entangled quantum states as computational resources. The most prominent application is the…
It was recently shown [G. Albareda, et al., Phys. Rev. Lett. 113, 083003 (2014)] that within the conditional decomposition approach to the coupled electron-nuclear dynamics, the electron-nuclear wave function can be exactly decomposed into…
Conical intersections are ubiquitous in polyatomic molecules and responsible for a wide range of phenomena in chemistry and physics. We introduce and implement a local diabatic representation for the correlated electron-nuclear dynamics…
The dynamics of a single quantum state embedded in one or several (quasi-)continua is one of the most studied phenomena in quantum mechanics. In this work we investigate its discrete analogue and consider short and long time dynamics based…
Einstein-Smoluchowski diffusion, damped harmonic oscillations, and spatial decoherence are special cases of an elegant class of Markovian quantum Brownian motion models that is invariant under linear symplectic transformations. Here we…