Related papers: A Unified Theory of Free Energy Functionals and Ap…
A model glass is considered with one type of fast ($\beta$-type) of processes, and one type of slow processes ($\alpha$-type). On time-scales where the fast ones are in equilibrium, the slow ones have a dynamics that resembles the one of…
Landau theory usually treats free-energy coefficients as intrinsic parameters fixed by thermodynamic variables. We show that externally written microscale fields can survive coarse graining and enter the free-energy functional as spatially…
We first study a free particle on an $(n-1)$-sphere in an extended phase space, where the originally second-class Hamiltonian and constraints are now in strong involution. This allows for a Schr\"odinger representation and a Hamilton-Jacobi…
We discuss different free energies for materials in static electric and magnetic fields. We explain what the corresponding Hamiltonians are, and describe which choice gives rise to which result for the free energy change, dF, in the…
We generalize the previously proposed running vacuum energy model by including a term proportional to \dot{H}, in addition to the existing H^2 term. We show that the added degree of freedom is very constrained if both low redshift and high…
We study the Landau model for uniaxial incommensurate-commensurate systems of the I class by keeping Umklapp terms of third and fourth order in the expansion of the free energy. It applies to systems in which the soft mode minimum lies…
Energy functionals of the Green's function can simultaneously provide spectral and thermodynamic properties of interacting electrons' systems. Though powerful in principle, these formulations need to deal with dynamical…
The Ginzburg--Landau approach postulates an energy density, together with an interpretation for the supercurrent, and invokes Ohm's law. We consider quasi-one-dimensional nonuniform superconducting loops, either smooth or piecewise uniform,…
We introduce the concept of self-energy dispersion as an error bound on local theories and apply it to the two-dimensional Hubbard model on the square lattice at half-filling. Since the self-energy has no single-particle analog and is not…
We present numerical studies of the dynamics of vortices in the Ginzburg Landau model using equations derived from the gradient flow of the free energy. These equations have previously been proposed to describe the dynamics of n-vortices…
Orbital-Free Density Functional Theory (OFDFT) has re-emerged as a viable alternative to Kohn-Sham DFT, driven by recent advances in kinetic energy density functionals (KEDFs). Nonlocal (NL) KEDFs have significantly extended OFDFT's…
The topography of the free energy landscape in phase space of a dense hard sphere system characterized by a discretized free energy functional of the Ramakrishnan-Yussouff form is investigated numerically using a ``microcanonical'' Monte…
The calculation of the interfacial free energy between two thermodynamic phases is crucial across various fields, including materials science, chemistry, and condensed matter physics. In this study, we apply an existing thermodynamic…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
Self-energy-functional theory is a formal framework which allows to derive non-perturbative and thermodynamically consistent approximations for lattice models of strongly correlated electrons from a general dynamical variational principle.…
Taking advantage of the advances in generative deep learning, particularly normalizing flow, a framework, called Boltzmann Generator, has recently been proposed for the purpose of generating equilibrium atomic configurations from the…
We consider an infinite lattice system of interacting spins living on a smooth compact manifold, with short- but not necessarily finite-range pairwise interactions. We construct the gradient flow of the infinite-volume free energy on the…
The uniform electron gas is a key model system in the description of matter, including dense plasmas and solid state systems. However, the simultaneous occurence of quantum, correlation, and thermal effects makes the theoretical description…
A general framework for the kinetic modelling of non-relativistic polyatomic gases is proposed,where each particle is characterized both by its velocity and by its internal state, and the Boltzmann collisionoperator involves suitably…
The Canham--Helfrich free-energy density for a lipid bilayer has drawn considerable attention. Aside from the mean and Gaussian curvatures, this free-energy density involves a spontaneous mean-curvature that encompasses information…