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It is shown that low Reynolds number fluid flows can cause suspended particles to respond as though they were in an equilibrium system with an effective potential. This general result follows naturally from the fact that different methods…

Soft Condensed Matter · Physics 2019-06-19 Todd M. Squires

A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…

Condensed Matter · Physics 2016-08-14 K. Stokbro , N. Chetty , K. W. Jacobsen , J. K. Nørskov

Kinetic energy density functionals (KEDFs) are central to orbital-free density functional theory. Limitations on the spatial derivative dependencies of KEDFs have been claimed from differential virial theorems. We point out a central defect…

Chemical Physics · Physics 2018-03-14 Kai Luo , S. B. Trickey

Single-particle levels of seven magic nuclei are calculated within the Energy Density Functional (EDF) method by Fayans et al. Three versions of the EDF are used, the initial Fayans functional DF3 and its two variations, DF3-a and DF3-b,…

Nuclear Theory · Physics 2015-06-18 N. V. Gnezdilov , I. N. Borzov , E. E. Saperstein , S. V. Tolokonnikov

We derive an expression for the macroscopic force density that a narrow-band electromagnetic field imposes on a dissipative isotropic medium. The result is obtained by averaging the microscopic form for Lorentz force density. The derived…

Optics · Physics 2015-05-20 Andriy Shevchenko , Matti Kaivola

We developed new parameterizations of local regularized finite-range pseudopotentials up to next-to-next-to-next-to-leading order (N3LO), used as generators of nuclear density functionals. When supplemented with zero-range spin-orbit and…

Nuclear Theory · Physics 2020-12-15 K. Bennaceur , J. Dobaczewski , T. Haverinen , M. Kortelainen

We present an analysis of a scalar field model of dark energy with an exponential potential using the Dark Energy Task Force (DETF) simulated data models. Using Markov Chain Monte Carlo sampling techniques we examine the ability of each…

Astrophysics · Physics 2010-04-08 Brandon Bozek , Augusta Abrahamse , Andreas Albrecht , Michael Barnard

Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy density functional (KEDF), which should be accurate and must…

Materials Science · Physics 2024-12-12 Michael A. J. Mitchell , Teresa Del Aguila Ferrandis , Stefano Sanvito

We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We…

Nuclear Theory · Physics 2020-09-03 T. Haverinen , M. Kortelainen , J. Dobaczewski , K. Bennaceur

An alternative approach to symmetry restoration within Energy Density Functional, the Symmetry-Conserving EDF is discussed. In this approach, the energy is directly written in terms of the degrees of freedom encoded in the one-, two-...…

Nuclear Theory · Physics 2015-06-04 Guillaume Hupin , Denis Lacroix

We propose a pseudopotential for the electron-electron Coulomb interaction to improve the efficiency of many-body electronic structure calculations. The pseudopotential accurately replicates the scattering properties of the Coulomb…

Strongly Correlated Electrons · Physics 2015-09-02 J. H. Lloyd-Williams , R. J. Needs , G. J. Conduit

We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numerical calculations using plane waves as basis set. At most 7…

mtrl-th · Physics 2009-10-28 S. Goedecker , M. Teter , J. Hutter

In previous works, ratios among four-point scattering amplitudes at the leading order in the high-energy limit were derived for the bosonic open string theory. The derivation was based on Ward identities derived from the decoupling of…

High Energy Physics - Theory · Physics 2010-04-05 Chuan-Tsung Chan , Pei-Ming Ho , Jen-Chi Lee , Shunsuke Teraguchi , Yi Yang

The ELYO functional proposed in [M. Grasso, D. Lacroix, and C. J. Yang, Phys. Rev. C \textbf{95}, 054327 (2017)] belongs to the family of energy-density functionals (EDFs) inspired by effective-field theories (EFTs) and constrained by…

Nuclear Theory · Physics 2020-06-22 Jeremy Bonnard , Marcella Grasso , Denis Lacroix

A density-matrix formalism is developed based on the one-particle density-matrix of a single-determinantal reference-state. The v-representable problem does not appear in the proposed method, nor the need to introduce functionals defined by…

Chemical Physics · Physics 2009-11-10 James P. Finley

We construct integrable pseudopotentials with an arbitrary number of fields in terms of elliptic generalization of hypergeometric functions in several variables. These pseudopotentials yield some integrable (2+1)-dimensional hydrodynamic…

Exactly Solvable and Integrable Systems · Physics 2008-10-22 Alexander Odesskii , Vladimir Sokolov

The development of a modern and more realistic nuclear energy density functional (EDF) for accurate predictions of properties of nuclei is the subject of enhanced activity, since it is very important for the study of properties of nuclear…

Nuclear Theory · Physics 2019-11-14 S. Shlomo , A. I. Sanzhur

We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce…

Strongly Correlated Electrons · Physics 2021-08-03 Takeru Yokota , Tomoya Naito

We introduce the pseudohole and heavy-pseudoparticle operator algebra that generates all Hubbard-chain eigenstates from a single reference vacuum. In addition to the pseudoholes already introduced for the description of the low-energy…

Strongly Correlated Electrons · Physics 2009-10-30 J. M. P. Carmelo , N. M. R. Peres

The crucial step in density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) is to decide whether the density produced by the density functional for a specific calculation is erroneous and hence should be replaced by, in this…

Chemical Physics · Physics 2023-09-20 Daniel Graf , Alex J. W. Thom