Related papers: Canonical mean-field molecular dynamics derived fr…
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational cost. %which is based on orbital optimization of electron…
The phase behavior of the primitive model of electrolytes is studied in the framework of various mean field approximations obtained recently by means of methods pertaining to statistical field theory (CAILLOL, J.-M., 2004, \textit{J. Stat.…
A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic…
The emergence of statistical mechanics from quantum dynamics is a central problem in quantum many-body physics. Deriving observables aligned with the prediction of the canonical ensemble for a quantum system relies on the presence of a bath…
The quantum hadrodynamics (QHD) model with minimal nucleon-meson couplings is generalized by introducing couplings of mesons to derivatives of the nucleon field in the Lagrangian density. This approach allows an effective description of a…
The zero temperature relaxational dynamics of a particle in a short range correlated random potential is addressed. We derive a set of "two-times" mean-field dynamical equations, accounting for a possible mean displacement of the particle…
Performance of quantum process estimation is naturally limited to fundamental, random, and systematic imperfections in preparations and measurements. These imperfections may lead to considerable errors in the process reconstruction due to…
We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…
The aim of this paper is to understand the relation between the canonical Hamilton-Jacobi equation for Maxwell's electrodynamics, which is an equation with variational derivatives for a functional of field configurations, and the covariant…
We study the Hamiltonian Mean Field (HMF) model, a system of $N$ fully coupled particles, in the microcanonical ensemble. We use the previously obtained free energy in the canonical ensemble to derive entropy as a function of energy, using…
A quantum-classical limit of the canonical equilibrium time correlation function for a quantum system is derived. The quantum-classical limit for the dynamics is obtained for quantum systems comprising a subsystem of light particles in a…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
We present a general discussion of the mean field dynamics of finite nuclei prepared under extreme conditions of temperature and pressure. We compare the prediction of semi-classical approximation with complete quantum simulations. Many…
We investigate the thermodynamic behavior of open quantum systems through the Hamiltonian of Mean Force, focusing on two models: a two-qubit system interacting with a thermal bath and a Jaynes-Cummings Model without the rotating wave…
Quantum algorithms for simulating electronic ground states are slower than popular classical mean-field algorithms such as Hartree-Fock and density functional theory, but offer higher accuracy. Accordingly, quantum computers have been…
Stochastic Langevin molecular dynamics for nuclei is derived from the Ehrenfest Hamiltonian system (also called quantum classical molecular dynamics) in a Kac-Zwanzig setting, with the initial data for the electrons stochastically perturbed…
It is believed that in non-central relativistic heavy ion collisions a very strong magnetic field is formed. There are several studies of the effects of this field, where $\vec{B}$ is calculated with the expressions of classical…
Consistent dynamics which couples classical and quantum degrees of freedom exists, provided it is stochastic. This dynamics is linear in the hybrid state, completely positive and trace preserving. One application of this is to study the…
Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…
Quantum dynamics of the Bose-Hubbard Model is investigated through a semiclassical hamiltonian picture provided by the Time-Dependent Variational Principle method. The system is studied within a factorized slow/fast dynamics. The…