相关论文: Beyond the Rosenfeld Functional: Loop Contribution…
Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…
The parameter dependence of the various attractive solutions of the three variable nonlinear Lorenz model equations for thermal convection in Rayleigh-B\'enard flow is studied. Its bifurcation structure has commonly been investigated as a…
Different mathematical methods have been applied to obtain the analytic result for the massless triangle Feynman diagram yielding a sum of four linearly independent hypergeometric functions of two variables $F_4$. These are defined for…
The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio…
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, thermodynamics, bulk liquid-gas coexistence, and associated…
The absence of self averaging in mesoscopic systems is a consequence of long-range intensity correlation. Microwave measurements suggest and diagrammatic calculations confirm that the correlation function of the normalized intensity with…
We develop a gradient-flow theory for time-dependent functionals defined in abstract metric spaces. Global well-posedness and asymptotic behavior of solutions are provided. Conditions on functionals and metric spaces allow to consider the…
This paper provides inference methods for best linear approximations to functions which are known to lie within a band. It extends the partial identification literature by allowing the upper and lower functions defining the band to be any…
The extraordinary concept of weak value amplification has attracted considerable attention for addressing foundational questions in quantum mechanics and for metrological applications in high precision measurement of small physical…
The geometry of Arithmetic Random Waves has been extensively investigated in the last fifteen years, starting from the seminal papers [RW08, ORW08]. In this paper we study the correlation structure among different functionals such as nodal…
The calculation of the band-gap by density-functional theory (DFT) methods is examined by considering the behavior of the energy as a function of number of electrons. It is found that the incorrect band-gap prediction with most approximate…
The main result of this paper is a functional limit theorem for the sine-process. In particular, we study the limit distribution, in the space of trajectories, for the number of particles in a growing interval. The sine-process has the…
The response of an extended periodic system to a homogeneous field (of wave-vector $q=0$) cannot be obtained from a $q=0$ time-dependent density functional theory (TDDFT) calculation, because the Runge-Gross theorem does not apply.…
We show that for any free probability measure-preserving action of $\mathbb{C}^{d}$ on a standard probability space, there exists a Borel entire function $F$ such that the factor map $x \mapsto F_{x}$, where $F_{x}(z) = F(z \cdot x)$, is…
In this paper, we provide relations among the following properties: (a) the tail triviality of a probability measure $\mu$ on the configuration space ${\boldsymbol\Upsilon}$; (b) the finiteness of the $L^2$-transportation-type distance…
The paper establishes the central limit theorems and proposes how to perform valid inference in factor models. We consider a setting where many counties/regions/assets are observed for many time periods, and when estimation of a global…
Error bounds are central objects in optimization theory and its applications. They were for a long time restricted only to the theory before becoming over the course of time a field of itself. This paper is devoted to the study of error…
We consider the convergence of additive functionals under the determinantal point process with the confluent hypergeometric kernel, corresponding to a sufficiently smooth function $f(x/R)$, as $R\to\infty$. We show that these functionals…
We study a system of N particles with logarithmic, Coulomb or Riesz pairwise interactions, confined by an external potential. We examine a microscopic quantity, the tagged empirical field, for which we prove a large deviation principle at…
We extend the functional Breuer-Major theorem by Nourdin and Nualart (2020) to the space of rough paths. The proof of tightness combines the multiplication formula for iterated Malliavin divergences, due to Furlan and Gubinelli (2019), with…