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While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…

We consider approximation properties of real points by uniformly distributed sequences. Under some assumptions on the approximation functions, we prove a Khintchine-type $0$-$1$ dichotomy law. We establish a new connection between uniform…

Number Theory · Mathematics 2025-07-10 Gerardo González Robert , Mumtaz Hussain , Nikita Shulga , Benjamin Ward

The Weyl-Wigner representation of quantum mechanics allows one to map the density operator in a function in phase space - the Wigner function - which acts like a probability distribution. In the context of statistical mechanics, this…

Quantum Physics · Physics 2023-08-31 Marcos Gil de Oliveira , Alfredo Miguel Ozorio de Almeida

We introduce a novel conditional density estimation model termed the conditional density operator (CDO). It naturally captures multivariate, multimodal output densities and shows performance that is competitive with recent neural…

Machine Learning · Computer Science 2019-10-30 Ingmar Schuster , Mattes Mollenhauer , Stefan Klus , Krikamol Muandet

Estimation of density derivatives is a versatile tool in statistical data analysis. A naive approach is to first estimate the density and then compute its derivative. However, such a two-step approach does not work well because a good…

Machine Learning · Statistics 2014-07-01 Hiroaki Sasaki , Yung-Kyun Noh , Masashi Sugiyama

We propose approximations which go beyond the local density approximation for the short-range exchange and correlation density functionals appearing in a multi-determinantal extension of the Kohn-Sham scheme. A first approximation consists…

Chemical Physics · Physics 2009-11-10 Julien Toulouse , Francois Colonna , Andreas Savin

We present a metric-space approach to quantify the performance of density-functional approximations for interacting many-body systems and to explore the validity of the Hohenberg-Kohn-type theorem on fermionic lattices. This theorem…

Quantum Physics · Physics 2018-03-06 V. V. França , J. P. Coe , I. D'Amico

Density regression provides a flexible strategy for modeling the distribution of a response variable $Y$ given predictors $\mathbf{X}=(X_1,\ldots,X_p)$ by letting that the conditional density of $Y$ given $\mathbf{X}$ as a completely…

Statistics Theory · Mathematics 2016-01-07 Weining Shen , Subhashis Ghosal

We propose a new type of effective densities via the potential distribution theorem. These densities are for the sake of enabling the mapping of the free energy of a uniform fluid onto that of a nonuniform fluid. The potential distribution…

Soft Condensed Matter · Physics 2012-02-21 L. L. Lee , G. Pellicane

We define a general method for finding a quasi-best approximant in sup-norm to a target density belonging to a given model, based on independent samples drawn from distributions which average to the target (which does not necessarily belong…

Statistics Theory · Mathematics 2025-06-26 Guillaume Maillard

The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to…

Soft Condensed Matter · Physics 2015-09-02 V. Molinari , B. D. Ganapol , D. Mostacci

In this paper we analyse financial implications of exchangeability and similar properties of finite dimensional random vectors. We show how these properties are reflected in prices of some basket options in view of the well-known put-call…

Pricing of Securities · Quantitative Finance 2011-04-05 Ilya Molchanov , Michael Schmutz

This manuscript reports a stochastic dynamical scenario whose associated stationary probability density function is exactly a previously proposed one to adjust high-frequency traded volume distributions. This dynamical conjecture,…

Statistical Mechanics · Physics 2009-11-11 Silvio M. Duarte Queiros

In the first part of this thesis, we focus on American options in the Heston model. We first give an analytical characterization of the value function of an American option as the unique solution of the associated (degenerate) parabolic…

Probability · Mathematics 2019-11-13 Giulia Terenzi

This paper proposes a novel numerical method for computing the density of the limit random variable associated with a supercritical Galton-Watson process. This random variable captures the effect of early demographic fluctuations and…

Probability · Mathematics 2026-05-08 Alice Cortinovis , Sophie Hautphenne , Stefano Massei

In this article, we study the rate of convergence of prices when a model is approximated by some simplified model. We also provide a method how explicit error formula for more general options can be obtained if such formula is available for…

Probability · Mathematics 2013-01-08 Lauri Viitasaari

The density of polynomials in a weighted space of infinitely differentiable functions in a multidimensional real space is proved under minimal conditions on weight functions and on differences between weight functions. We apply this result…

Classical Analysis and ODEs · Mathematics 2007-05-23 P. V. Fedotova , I. Kh. Musin

In this paper, we introduce a new method of sampling from transition densities of diffusion processes including those unknown in closed forms by solving a partial differential equation satisfied by the quotient of transition densities. We…

Probability · Mathematics 2020-12-04 Yasin Kikabi , Juma Kasozi

Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or the electronic band structure. The KS-DFT method leads to…

Materials Science · Physics 2019-09-20 Fabien Tran , Jan Doumont , Leila Kalantari , Ahmad W. Huran , Miguel A. L. Marques , Peter Blaha

We introduce a new density for the representation of quantum states on phase space. It is constructed as a weighted difference of two smooth probability densities using the Husimi function and first-order Hermite spectrograms. In contrast…

Mathematical Physics · Physics 2016-03-07 Johannes Keller , Caroline Lasser , Tomoki Ohsawa
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