Related papers: Canonical mean-field molecular dynamics derived fr…
We present the code HF-SHELL for solving the self-consistent mean-field equations for configuration-interaction shell model Hamiltonians in the proton-neutron formalism. The code can calculate both ground-state and finite-temperature…
We consider a non-minimally coupled Einstein-Maxwell gravity with no $U(1)$ symmetry property to study stability of an electrostatic star via canonical quantization approach and obtain that the stability is free of gauge field effects. By…
Photons mediate long-range optomechanical forces between atoms in high finesse resonators, which can induce the formation of ordered spatial patterns. When a transverse laser drives the atoms, the system undergoes a second order phase…
A Monte Carlo computer simulation algorithm in classical phase space is given for the treatment of quantum systems. The non-commutativity of position and momentum is accounted for by a mean field approach and instantaneous effective…
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…
We design a quantum molecular dynamics method for strongly correlated electron metals. The strong electronic correlation effects are treated within a real-space version of the Gutzwiller variational approximation (GA), which is suitable for…
The goal of the present account is to review our efforts to obtain and apply a ``collective'' Hamiltonian for a few, approximately decoupled, adiabatic degrees of freedom, starting from a Hamiltonian system with more or many more degrees of…
Starting from full quantum field theory, various mean field approaches are derived systematically. With a full consideration of external source dependence, the stationary phase approximation of an action gives a nuclear mean field theory…
The quantum behaviour of the electromagnetic field in mesoscopic elements is intimately linked to the quantization of the charge. In order to probe nonclassical aspects of the field in those elements, it is essential that thermal noise be…
Macroscopic field quantization is presented for a nondispersive photonic dielectric environment, both in the absence and presence of guest atoms. Starting with a minimal-coupling Lagrangian, a careful look at functional derivatives shows…
We investigate the magnetic quantum phase-transitions in bulk correlated metals at the level of dynamical mean-field theory. To this end, we focus on the Hubbard model on a simple cubic lattice as a function of temperature and electronic…
We show direct formal relationship between the Wang-Landau iteration [PRL 86, 2050 (2001)], metadynamics [PNAS 99, 12562 (2002)] and statistical temperature molecular dynamics [PRL 97, 050601 (2006)], the major Monte Carlo and molecular…
A first principles quantum formalism to describe the non-adiabatic dynamics of electrons and nuclei based on a second quantization representation (SQR) of the electronic motion combined with the usual representation of the nuclear…
We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…
The canonical one-band Hubbard model is studied using a computational method that mixes the Monte Carlo procedure with the mean field approximation. This technique allows us to incorporate thermal fluctuations and the development of…
Approximate mean-field equations of motion for the classical chiral field are developed within the linear sigma model by means of a Hartree factorization. Both the approximate and the unapproximated equations of motion are augmented with a…
We investigate the classical limit of non-Hermitian quantum dynamics arising from a coherent state approximation, and show that the resulting classical phase space dynamics can be described by generalised "canonical" equations of motion,…
We establish that the exact quantum dynamics of a Brownian particle in the Caldeira-Leggett model can be mapped, at any temperature, onto a classical, non-Markovian stochastic process in phase space. Starting from a correlated thermal…
A canonical formulation of effective equations describes quantum corrections by the back-reaction of moments on the dynamics of expectation values of a state. As a first step toward an extension to quantum-field theory, these methods are…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…