相关论文: An Open Quantum System Theory for Polarizable Cont…
A wide range of electrochemical reactions of practical importance occur at the interface between a semiconductor and an electrolyte. We present an embedded density-functional theory method using the recently released self-consistent…
A model multilevel molecule described by two sets of rotational internal energy levels of different parity and degenerate ground states, coupled by a constant interaction, is considered, by assuming that the random collisions in a gas of…
We present an extensive introduction to quantum collision models (CMs), also known as repeated interactions schemes: a class of microscopic system-bath models for investigating open quantum systems dynamics whose use is currently spreading…
The analytically tractable model employing Quantum Markovian Master Equations, derived by weak coupling procedure and satisfying complete positivity, is proposed to describe a model of molecular battery charged by a non-equilibrium…
We propose that impurities in Bose-Einstein condensates can serve as a minimal laboratory system to explore the effects of quantum and thermal fluctuations on solvation. Specifically, we show that the role of quantum fluctuations in the…
We critically examine a broad class of explicitly polarisable soft solvent models aimed at applications in dissipative particle dynamics. We obtain the dielectric permittivity using the fluctuating box dipole method in linear response…
This work presents a rigorous statistical mechanical theory of solvation free energies, specifically useful for describing the long-range nature of ions in an electrolyte solution. The theory avoids common issues with field theories by…
PCMSolver is an open-source library for continuum electrostatic solvation. It can be combined with any quantum chemistry code and requires a minimal interface with the host program, greatly reducing programming effort. As input, PCMSolver…
We consider the problem of decoherence and relaxation of open bosonic quantum systems from a perspective alternative to the standard master equation or quantum trajectories approaches. Our method is based on the dynamics of expectation…
We derive the uncertainty relation for a quantum open system comprised of a Brownian particle interacting with a bath of quantum oscillators at finite temperature. We examine how the quantum and thermal fluctuations of the environment…
Digital quantum computers are potentially an ideal platform for simulating open quantum many-body systems beyond the digital classical computers. Many studies have focused on obtaining the ground state by simulating time dynamics or…
These notes are a short introduction to the mathematical theory of open quantum systems. They are meant to serve as an entry point into a broad research area which has applications across the quantum sciences dealing with systems subjected…
The description of an open quantum system's decay almost always requires several approximations as to remain tractable. Here, we first revisit the meaning, domain and seeming contradictions of a few of the most widely used of such…
In the framework of the Lindblad theory for open quantum systems, we derive closed analytical expressions of the Heisenberg and Schr\"odinger generalized uncertainty functions for a particle moving in a harmonic oscillator potential. The…
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of closed-system, unitary dynamics and ground-state…
The local conservation of a physical quantity whose distribution changes with time is mathematically described by the continuity equation. The corresponding time parameter, however, is defined with respect to an idealized classical clock.…
The paper shortly presents the role of Stochastic Processes Theory in the present day Quantum Theory, and the relation to Operational Quantum Physics. The dynamics of an open quantum system is studied on a usual example from Quantum Optics,…
We introduce a functional perturbative method for treating weakly nonlinear systems coupled with a quantum field bath. We demonstrate using this method to obtain the covariance matrix elements and the correlation functions of a quantum…
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key…
Solving the electronic Schr\"odinger equation for changing nuclear coordinates provides access to the Born-Oppenheimer potential energy surface. This surface is the key starting point for almost all theoretical studies of chemical processes…