Related papers: Cluster expansion in the canonical ensemble
I discuss the effects of fermionic condensation in systems of constant density of states. I show that the condensation leads to a correction of the chemical potential and of the Fermi distribution in canonical Fermi systems at low…
Completely open systems can exchange heat, work, and matter with the environment. While energy, volume, and number of particles fluctuate under completely open conditions, the equilibrium states of the system, if they exist, can be…
In-medium modifications of light cluster properties in warm stellar matter are studied within the relativistic mean-field approximation. In-medium effects are included by introducing an explicit binding energy shift analytically calculated…
Numerical linked-cluster expansions allow one to calculate finite-temperature properties of quantum lattice models directly in the thermodynamic limit through exact solutions of small clusters. However, full diagonalization is often the…
Reflecting diffusions on continuum percolation clusters are considered. Assuming that the occupied region has a unique unbounded cluster and the cluster satisfies geometrical conditions such as volume regularity, isoperimetric conditions,…
It is typically assumed, without justification, that a weak coupling between a system and a bath is a necessary condition for the equivalence of a canonical ensemble and a microcanonical ensemble. For instance, in a canonical ensemble,…
Driven suspensions, where energy is input at a particle scale, are a framework for understanding general principles of out-of-equilibrium organization. A large number of simple interacting units can give rise to non-trivial structure and…
A thermodynamic model for multifragmentation which is frequently used appears to give very different values for specific heat at constant volume depending upon whether canonical or grand canonical ensemble is used. The cause for this…
Machine learning interatomic potentials are revolutionizing large-scale, accurate atomistic modelling in material science and chemistry. Many potentials use atomic cluster expansion or equivariant message passing frameworks. Such frameworks…
It is well known that a system, S, weakly coupled to a heat bath, B, is described by the canonical ensemble when the composite, S+B, is described by the microcanonical ensemble corresponding to a suitable energy shell. This is true both for…
We study the effects of long range interactions on the phases observed in cohesive granular materials. At high vibration amplitudes, a gas of magnetized particles is observed with velocity distributions similar to non-magnetized particles.…
We consider the sampling of the coupled cluster expansion within stochastic coupled cluster theory. Observing the limitations of previous approaches due to the inherently non-linear behaviour of a coupled cluster wavefunction representation…
We investigate the isobar of an ideal Bose gas confined in a cubic box within the grand canonical ensemble, for a large yet finite number of particles, N. After solving the equation of the spinodal curve, we derive precise formulae for the…
In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
Colloidal clusters consist of small numbers of colloidal particles bound by weak, short-range attractions. The equilibrium probability of observing a cluster in a particular geometry is well-described by a statistical mechanical model…
This paper delves into a fundamental aspect of quantum statistical mechanics -- the absence of thermal phase transitions in one-dimensional (1D) systems. Originating from Ising's analysis of the 1D spin chain, this concept has been pivotal…
We describe a finite inhomogeneous three dimensional system of classical particles which interact through short and (or) long range interactions by means of a simple analytic spin model. The thermodynamic properties of the system are worked…
We study compound systems with a classical sector and a quantum sector. Among other consistency conditions we require a canonical structure, that is, a Lie bracket for the dynamical evolution of hybrid observables in the Heisenberg picture,…
The unitary coupled cluster (UCC) approximation is one of the more promising wave-function ans\"atze for electronic structure calculations on quantum computers via the variational quantum eigensolver algorithm. However, for large systems…