Related papers: A Unified Theory of Free Energy Functionals and Ap…
We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…
On a two-dimensional Riemannian manifold without boundary we consider the variational limit of a family of functionals given by the sum of two terms: a Ginzburg-Landau and a perimeter term. Our scaling allows low-energy states to be…
We introduce a framework to study the occurrence of vortex filament concentration in $3D$ Ginzburg-Landau theory. We derive a functional that describes the free-energy of a collection of nearly-parallel quantized vortex filaments in a…
We study large $n$ expansions for the partition function of a Coulomb gas $$Z_n=\frac 1 {\pi^n}\int_{\mathbb{C}^n}\prod_{1\le i<j\le n}|z_i-z_j|^2\prod_{i=1}^n e^{-nQ(z_i)}\, d^2 z_i,$$ where $Q$ is a radially symmetric confining potential…
We introduce and analyze the nonlocal variants of two Cahn-Hilliard type equations with reaction terms. The first one is the so-called Cahn-Hilliard-Oono equation which models, for instance, pattern formation in diblock-copolymers as well…
A vast array of phenomena, ranging from chemical reactions to phase transformations, are analysed in terms of a free energy surface defined with respect to a single or multiple order parameters. Enhanced sampling methods are typically used,…
A general theory has been developed for a polydisperse semi-flexible multi-block copolymer melt. Using the Bawendi-Freed approach to model semi-flexible chains an expression for the Landau free energy is derived in the weak segregation…
This article presents a phenomenological dynamic phase transition theory -- modeling and analysis -- for superfluids. As we know, although the time-dependent Ginzburg-Landau model has been successfully used in superconductivity, and the…
We introduce a method that allows the evaluation of general expressions for the spectral functions of the one-dimensional Hubbard model for all values of the on-site electronic repulsion U. The spectral weights are expressed in terms of…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
The Hamiltonian formalism of the generalized unimodular gravity theory, which was recently suggested as a model of dark energy, is shown to be a complicated example of constrained dynamical system. The set of its canonical constraints has a…
Properties 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 are investigated numerically. A considerable number of glassy local…
A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…
We study some properties of a multi-species degenerate Ginzburg-Landau energy and its relation to a cross-diffusion Cahn-Hilliard system. The model is motivated by multicomponent mixtures where crossdiffusion effects between the different…
We first apply functional-integral approach to a multiband Hubbard model near the critical pairing temperature, and derive a generic effective action that is quartic in the fluctuations of the pairing order parameter. Then we consider…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
We study a phase-field variational model for the solvaiton of charged molecules with an implicit solvent. The solvation free-energy functional of all phase fields consists of the surface energy, solute excluded volume and solute-solvent van…
We study a determinantal Coulomb gas in the complex plane associated with the external potential $$ Q(z)=\frac{1}{1-\tau^2}\big(|z|^2-\tau \text{Re } z^2\big)-2c\log|z-a|, $$ where $\tau\in[0,1)$, $c\ge0$, and $a\ge0$. In the regimes where…
We propose an analytical Landau-Ginzburg theory of the charge density waves coupled with lattice and electronic long-range order parameters. Examples of long-range order include electronic wave function of superconducting Cooper pairs,…
Modern statistical thermodynamics retains the concepts employed by Landau of the order parameter and a functional depending on it, now called the Hamiltonian. The present paper investigates the limits of validity for the use of the…