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相关论文: Laboratory Density Functionals

200 篇论文

The Hohenberg-Kohn theorem and the Kohn-Sham equations, which are at the basis of the Density Functional Theory, are reformulated in terms of a particular many-body density, which is translational invariant and therefore is relevant for…

核理论 · 物理学 2021-09-29 A. Kievsky , G. Orlandini , M. Gattobigio

Nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the…

核理论 · 物理学 2015-06-11 Takashi Nakatsukasa

We study densities of functionals over uniformly bounded triangulations of a Delaunay set of vertices, and prove that the minimum is attained for the Delaunay triangulation if this is the case for finite sets.

度量几何 · 数学 2014-11-11 Nikolay P. Dolbilin , Herbert Edelsbrunner , Alexey Glazyrin , Oleg R. Musin

Because of the rotational invariance of the nuclear Hamiltonian, there exists a density functional for nuclei that depends only on two scalar densities. Practical calculations boil down to radial, one-dimensional ones.

核理论 · 物理学 2008-11-26 B. G. Giraud

A method to extract primary $\gamma$-ray spectra from particle-$\gamma$ coincidences at excitation energies up to the neutron binding energy is described. From these spectra, the level density and $\gamma$-ray strength function can be…

核实验 · 物理学 2007-05-23 M. Guttormsen , M. Hjorth-Jensen , J. Rekstad , S. Siem , A. Schiller , A. Voinov

Density functional theory is discussed in the context of one-particle systems. We show that the ground state density $\rho_0(x)$ and energy $E_0$ are simply related to a family of external potential energy functions with ground state wave…

量子物理 · 物理学 2009-11-10 H. L. Neal

The connection between the properties of cell tissue and those of the single constituent cells remains to be elucidated. At the purely mechanical level, the degree of rigidity of different cellular components, such as the nucleus and the…

软凝聚态物质 · 物理学 2022-03-15 Stefano Villa , Andrea Palamidessi , Emanuela Frittoli , Giorgio Scita , Roberto Cerbino , Fabio Giavazzi

The spectral function for finite nuclei is computed within the framework of the Local Density Approximation, starting from nuclear matter spectral functions obtained with a realistic nucleon-nucleon interaction. The spectral function is…

核理论 · 物理学 2008-11-26 D. Van Neck , A. E. L. Dieperink , E. Moya de Guerra

Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment…

其他凝聚态物理 · 物理学 2015-05-13 Peter Elliott , Kieron Burke , Morrel H. Cohen , Adam Wasserman

We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…

软凝聚态物质 · 物理学 2009-11-11 Sahak Petrosyan , Jean-Francois Briere , David Roundy , T. A. Arias

We consider a two-dimensional Coulomb gas of positive and negative pointlike unit charges interacting via a logarithmic potential. The density (rather than the charge) correlation functions are studied. In the bulk, the form-factor theory…

统计力学 · 物理学 2007-05-23 L. Šamaj , B. Jancovici

We introduce a density functional formalism to study the ground-state properties of strongly-correlated dipolar and ionic ultracold bosonic and fermionic gases, based on the self-consistent combination of the weak and the strong coupling…

Density deconvolution is the task of estimating a probability density function given only noise-corrupted samples. We can fit a Gaussian mixture model to the underlying density by maximum likelihood if the noise is normally distributed, but…

机器学习 · 统计学 2020-07-14 Tim Dockhorn , James A. Ritchie , Yaoliang Yu , Iain Murray

In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown that a set of density functionals satisfy an equation that…

材料科学 · 物理学 2011-08-09 Daniel P. Joubert

Spherical collapse predicts that a single value of the turnaround density (average matter density within the scale on which a structure detaches from the Hubble flow) characterizes all cosmic structures at the same redshift. It has been…

宇宙学与河外天体物理 · 物理学 2020-07-01 Vasiliki Pavlidou , Giorgos Korkidis , Theodore Tomaras , Dimitrios Tanoglidis

In this short paper, we consider the functional density on sets of uniformly bounded triangulations with fixed sets of vertices. We prove that if a functional attains its minimum on the Delaunay triangulation, for every finite set in the…

度量几何 · 数学 2015-06-11 Nikolay P. Dolbilin , Herbert Edelsbrunner , Oleg R. Musin

We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…

强关联电子 · 物理学 2015-06-11 J. Lorenzana , Z. -J. Ying , V. Brosco

We study a single two-level atom interacting with a reservoir of modes defined by its reservoir structure function. Within this framework we are able to define a density of entanglement involving a continuum of reservoir modes. The density…

量子物理 · 物理学 2011-03-23 C. Lazarou , B. M. Garraway , J. Piilo , S. Maniscalco

Classical density functional theory for finite temperatures is usually formulated in the grand-canonical ensemble where arbitrary variations of the local density are possible. However, in many cases the systems of interest are closed with…

统计力学 · 物理学 2022-04-06 James F. Lutsko

We generalize the recently developped "internal" Density Functional Theory (DFT) and Kohn-Sham scheme to multicomponent systems. We obtain a general formalism, applicable for the description of multicomponent self-bound systems (as…

量子物理 · 物理学 2015-03-19 Jeremie Messud