相关论文: An Open Quantum System Theory for Polarizable Cont…
The coupling between the states of a system and the continuum into which it is embedded, induces correlations that are especially large in the short time scale. These correlations cannot be calculated by using a statistical or…
Open quantum systems (OQS) cannot always be described with the Markov approximation, which requires a large separation of system and environment time scales. Here, we give an overview of some of the most important techniques available to…
Pyqcm is a Python/C++ library that implements a few quantum cluster methods with an exact diagonalization impurity solver. Quantum cluster methods are used in the study of strongly correlated electrons to provide an approximate solution to…
Quantum collision models allow for the dynamics of open quantum systems to be described by breaking the environment into small segments, typically consisting of non-interacting harmonic oscillators or two-level systems. This work introduces…
Fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQF{\mu} (J. Chem. Theory Comput. 2019, 15 2233-2245), is extended to the calculation of vertical excitation energies of solvated molecular…
In the framework of open quantum systems, we study the dynamics of a static polarizable two-level atom interacting with a bath of fluctuating vacuum electromagnetic field and explore under which conditions the coherence of the open quantum…
In the vicinity of ground-state phase transitions quantum correlations can display non-analytic behavior and critical scaling. This signature of emergent collective effects has been widely investigated within a broad range of equilibrium…
We take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations and the laws of thermodynamics become well defined and viable for quantum many body…
We derive a generalized quantum Langevin equation and its fluctuation-dissipation relation describing the quantum dynamics of a tagged particle interacting with a medium (environment), where both the particle and the environment are driven…
This article concerns numerical simulations of the dynamics of particles immersed in a continuum solvent. As prototypical systems, we consider colloidal dispersions of spherical particles and solutions of uncharged polymers. After a brief…
This paper describes an algorithmic system called SQT for the computer simulation of a wide class of quantum experiments on entangled particles. SQT maintains a hidden internal state for each particle and it provides an initialization…
Classical polarizable approaches have become the gold standard for simulating complex systems and processes in the condensed phase. These methods describe intrinsically dissipative polarizable media, requiring a formal definition within the…
We discuss the role of quantum coherence in the energy fluctuations of open quantum systems. To this aim, we introduce an operational protocol, to which we refer to as the end-point-measurement scheme, allowing to define the statistics of…
Laser control of Open Quantum Systems (OQS) is a challenging issue as compared to its counterpart in isolated small size molecules, basically due to very large numbers of degrees of freedom to be accounted for. Such a control aims at…
We discuss the role of quantum coherence in the energy fluctuations of open quantum systems. To this aim, we introduce a protocol, to which we refer to as the end-point-measurement scheme, allowing to define the statistics of energy changes…
Open quantum systems (OQS's) are ubiquitous in non-equilibrium quantum dynamics and in quantum science and technology. Solving the dynamics of an OQS in a quantum many-body bath has been considered a computationally hard problem because of…
The fluctuations of ions in polar solvents remain poorly understood theoretically due to the complex coupling between ionic motion and solvent polarization. Indeed, while all-atom resolution can be achieved in numerical simulations,…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
A relationship between the time scales of quantum coherence loss and short-time solvent response for a solute/bath system is derived for a Gaussian wave packet approximation for the bath. Decoherence and solvent response times are shown to…
We consider a well-known exactly solvable model of an open quantum system with pure decoherence. The aim of this paper is twofold. Firstly, decoherence is a property of open quantum systems important for both quantum technologies and the…