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We present NNFF1.0, a new determination of the fragmentation functions (FFs) of charged pions, charged kaons, and protons/antiprotons from an analysis of single-inclusive hadron production data in electron-positron annihilation. This…

High Energy Physics - Phenomenology · Physics 2017-09-13 Valerio Bertone , Stefano Carrazza , Nathan P. Hartland , Emanuele R. Nocera , Juan Rojo

We delve into the in-in formalism and derive general expressions for the computation of n-point functions for a self-interacting scalar field by means of a probability density functional (PDF). Even though in typical situations these…

High Energy Physics - Theory · Physics 2019-03-28 Bruno Scheihing Hitschfeld

In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…

Materials Science · Physics 2010-04-23 Gregory C. Dente

Reliable predictions of nuclear properties are needed as much to answer fundamental science questions as in applications such as reactor physics or data evaluation. Nuclear density functional theory is currently the only microscopic, global…

Nuclear Theory · Physics 2015-01-23 N. Schunck , J. D. McDonnell , D. Higdon , J. Sarich , S. Wild

While quantum computers have shown significant promise for electronic structure calculations, their potential to accelerate density functional theory (DFT) calculations remains unclear. In this work, we present a qubit-efficient encoding…

We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…

Chemical Physics · Physics 2018-02-20 Hideaki Takahashi

We prove a quantitative distortion theorem for iterated function systems that generate sets of continued fractions. As a consequence, we obtain upper and lower bounds on the Hausdorff dimension of any set of real or complex continued…

Number Theory · Mathematics 2020-02-25 Daniel Ingebretson

Fragmentation Functions (FF) are universal non-perturbative objects that model hadronization in some general kind of processes. They are mainly extracted from experimental data, hence constraining the parameters of the corresponding fits is…

High Energy Physics - Phenomenology · Physics 2023-09-18 German F. R. Sborlini , Roger Hernández-Pinto , Salvador Ochoa-Oregon , David F. Rentería-Estrada

Measures generated by Iterated Function Systems composed of uncountably many one--dimensional affine maps are studied. We present numerical techniques as well as rigorous results that establish whether these measures are absolutely or…

Dynamical Systems · Mathematics 2011-06-23 Giorgio Mantica

Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

Materials Science · Physics 2023-04-21 Martin-Isbjörn Trappe , William C. Witt , Sergei Manzhos

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…

Condensed Matter · Physics 2007-05-23 M. Ya. Amusia , V. R. Shaginyan

In this paper we consider the {\it Density Functional Theory} (DFT) framework, where a functional of the form $$F_\eps(\rho)=\eps T(\rho)+bC(\rho)-U(\rho)$$ has to be minimized in the class of non-negative measures $\rho$ which have a…

Mathematical Physics · Physics 2025-07-02 Guy Bouchitté , Giuseppe Buttazzo , Thierry Champion , Luigi De Pascale

Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus particle number is a series of linear segments between…

Other Condensed Matter · Physics 2015-03-13 Tamar Stein , Jochen Autschbach , Niranjan Govind , Leeor Kronik , Roi Baer

We present, within Kohn-Sham Density Functional Theory calculations, a quantitative method to identify and assess the partitioning of a large quantum mechanical system into fragments. We then show how within this framework simple…

Chemical Physics · Physics 2017-09-28 Stephan Mohr , Michel Masella , Laura E. Ratcliff , Luigi Genovese

We present Manifold Diffusion Fields (MDF), an approach that unlocks learning of diffusion models of data in general non-Euclidean geometries. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on…

Machine Learning · Computer Science 2024-01-23 Ahmed A. Elhag , Yuyang Wang , Joshua M. Susskind , Miguel Angel Bautista

We define and study the properties of generalized beam functions (BFs) and fragmenting jet functions (FJFs), which are fully-unintegrated parton distribution functions (PDFs) and fragmentation functions (FFs) for perturbative k_T. We…

High Energy Physics - Phenomenology · Physics 2015-05-30 Ambar Jain , Massimiliano Procura , Wouter J. Waalewijn

We provide formulas for invariants defined on a tensor product of defining representations of unitary groups, under the action of the product group. This situation has a physical interpretation, as it is related to the quantum mechanical…

Representation Theory · Mathematics 2011-11-01 Michael W. Hero , Jeb F. Willenbring , Lauren Kelly Williams

This article is a rough, quirky overview of both the history and present state of the art of density functional theory. The field is so huge that no attempt to be comprehensive is made. We focus on the underlying exact theory, the origin of…

Chemical Physics · Physics 2015-05-20 Aurora Pribram-Jones , David A. Gross , Kieron Burke

Vector-valued discrete Fourier transforms (DFTs) and ambiguity functions are defined. The motivation for the definitions is to provide realistic modeling of multi-sensor environments in which a useful time-frequency analysis is essential.…

Functional Analysis · Mathematics 2017-06-20 Travis D. Andrews , John J. Benedetto , Jeffrey J. Donatelli

We introduce 'single-particle-exact density functional theory' (1pEx-DFT), a novel density functional approach that represents all single-particle contributions to the energy with exact functionals. Here, we parameterize interaction energy…