Related papers: Canonical mean-field molecular dynamics derived fr…
Semiclassical electrodynamics is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical scheme. On the one hand, intermolecular interactions can be…
The rigorous quantum mechanical description of the collective interaction of many molecules with the radiation field is usually considered numerically intractable, and approximation schemes must be employed. Standard spectroscopy usually…
Exact results are derived on the averaged dynamics of a class of random quantum-dynamical systems in continuous space. Each member of the class is characterized by a Hamiltonian which is the sum of two parts. While one part is…
In a recent work [D. Malpetti and T. Roscilde, arXiv:1605.04223] we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part, and a quantum part -- and that…
It is widely believed that mean-field theory is exact for a wide-range of classical long-range interacting systems. Is this also true once quantum fluctuations have been accounted for? As a test case we study the Hamiltonian Mean Field…
We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
A novel mean-field approximation for quasi-one-dimensional (Q1D) quantum magnets is formulated. Our new mean-field approach is based on the Bethe-type effective-field theory, where thermal and quantum fluctuations between the…
The primitive model describes ions by point charges with an additional hard-core interaction. In classical density-functional theory the mean-field electrostatic contribution can be obtained from the first order of a functional perturbation…
We study the nonequilibrium steady-state of a fully-coupled network of $N$ quantum harmonic oscillators, interacting with two thermal reservoirs. Given the long-range nature of the couplings, we consider two setups: one in which the number…
Mean-field treatment (MFT) is frequently applied to approximately predict the dynamics of quantum optics systems, to simplify the system Hamiltonian through neglecting certain modes that are driven strongly or couple weakly with other…
A mean-field plus pairing model for atomic nuclei in the Fe region was studied using a finite-temperature quantum Monte-Carlo method. We present results for thermodynamical quantities such as the internal energy and the specific heat. These…
We develop a quantization method, that we name decomposable Weyl quantization, which ensures that the constants of motion of a prescribed finite set of Hamiltonians are preserved by the quantization. Our method is based on a structural…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
I review the quantum theory of the electron moving in a random environment. First, the quantum mechanics of individual particles scattered on a random potential is discussed. The quantum-mechanical description is extended to many-body…
We present a diagrammatic approach to quantum dynamics based on the categorical algebraic structure of strongly complementary observables. We provide physical semantics to our approach in terms of quantum clocks and quantisation of time. We…
In the classical work by Irving and Zwanzig [Irving J.H. and Zwanzig R.W., J. Chem. Phys. 19 (1951), 1173-1180 ] it has been shown that quantum observables for macroscopic density, momentum and energy satisfy the conservation laws of fluid…
In a series of papers we have argued that the 'basic' physical procedure of minimal coupling giving the quantum description of a Hamiltonian system interacting with a magnetic field, can be given a very satisfactory mathematical formulation…
Many experimentally-accessible, finite-sized interacting quantum systems are most appropriately described by the canonical ensemble of statistical mechanics. Conventional numerical simulation methods either approximate them as being coupled…
Molecular dynamics simulations of a quasi-harmonic solid are conducted to elucidate the meaning of temperature fluctuations in canonical systems and validate a well-known but frequently contested equation predicting the mean square of such…