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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 present background concepts of the nuclear density functional theory (DFT) and applications of the time-dependent DFT with the Skyrme energy functional for nuclear response functions. Practical methods for numerical applications of the…

Nuclear Theory · Physics 2013-10-16 T. Nakatsukasa , S. Ebata , P. Avogadro , L. Guo , T. Inakura , K. Yoshida

The third-order particle-hole ring diagrams are evaluated for a NN-contact interaction of the Skyrme type. The pertinent four-loop coefficients in the energy per particle $\bar E(k_f) \sim k_f^{5+2n}$ are reduced to double-integrals over…

Nuclear Theory · Physics 2017-08-23 N. Kaiser

This article generalizes the notion of the local density of a many-body system to introduce collective coordinates as explicit degrees of freedom. It is shown that the energy of the system can be expressed as a functional of this object.…

Nuclear Theory · Physics 2014-04-23 Thomas Lesinski

We perform extended Thomas-Fermi calculations in the Wigner-Seitz cell below and above neutron drip with realistic functionals. The resulting energy density is decomposed as a sum of bulk terms and a surface term, and a compressible liquid…

Nuclear Theory · Physics 2020-10-06 Ubiratãn José Furtado , Francesca Gulminelli

The Skyrme model is reconsidered from an effective theory point of view. Starting with the most general Lagrangian up to including terms of order $p^4$, $N_c$ and $\delta m^2$ ($\delta m\equiv m_s-m$), we obtain new interactions, which have…

High Energy Physics - Phenomenology · Physics 2017-08-23 Koji Harada

Exact analytic solutions of the Skyrme model defined on a spherically symmetric $R^{(1,1)} \times S^2$ geometry, chosen to mimic finite volume effects, are presented. The static and spherically symmetric configurations have non-trivial…

High Energy Physics - Theory · Physics 2015-06-22 Fabrizio Canfora , Francisco Correa , Jorge Zanelli

Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient…

Materials Science · Physics 2009-11-10 Hong Jiang , Weitao Yang

It is assumed that the two-component spinor formalisms for curved spacetimes that are endowed with torsionful affine connexions can supply a local description of dark energy in terms of classical massive spin-one uncharged fields. The…

General Relativity and Quantum Cosmology · Physics 2016-03-07 J. G. Cardoso

Calculations for infinite nuclear matter with realistic nucleon-nucleon interactions suggest that the isoscalar effective mass (IEM) of a nucleon at the saturation density equals $m^*/m\sim 0.8\pm 0.1$, at variance with empirical data on…

Nuclear Theory · Physics 2015-05-14 M. Zalewski , P. Olbratowski , W. Satula

The use of energy functionals based on density as the basic variable is advocated for ab initio molecular dynamics. It is demonstrated that the constraint of positivity of density can be incorporated easily by using square root density for…

Condensed Matter · Physics 2009-10-22 Vaishali Shah , Dinesh Nehete , D. G. Kanhere

In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…

Strongly Correlated Electrons · Physics 2009-11-13 Jeng-Da Chai , John D Weeks

To solve difficulties related to the use of nuclear density functional theory applied in its beyond mean-field version, we introduce a semi-contact 3-body effective interaction. We show that this interaction is a good candidate to replace…

Nuclear Theory · Physics 2015-06-23 Denis Lacroix , Karim Bennaceur

We present a substantial extension of our constraint-based approach for development of orbital-free (OF) kinetic-energy (KE) density functionals intended for the calculation of quantum-mechanical forces in multi-scale molecular dynamics…

Materials Science · Physics 2015-05-13 V. V. Karasiev , R. S. Jones , S. B. Trickey , Frank E. Harris

In this paper we present a systematic method to solve the variational problem of the derivation of a self-consistent Kohn-Sham field from an arbitrary local energy functional. We illustrate this formalism with an application in nuclear…

Nuclear Theory · Physics 2009-01-21 Ph. Chomaz , K. H. O. Hasnaoui

The isospin dependence of the spin-orbit potential is investigated for an effective Skyrme like energy-functional suitable for density-dependent Hartree-Fock calculations. The magnitude of the isospin dependence is obtained from a fit to…

Nuclear Theory · Physics 2016-02-17 M. M. Sharma , G. A. Lalazissis , J. Koenig , P. Ring

We consider a version of the Skyrme model where both the kinetic term and the Skyrme term are multiplied by field-dependent coupling functions. For suitable choices, this "dielectric Skyrme model" has static solutions saturating the…

High Energy Physics - Theory · Physics 2020-07-15 C. Adam , K. Oles , A. Wereszczynski

We derive the nucleon-nucleon isoscalar spin-orbit potential from the Skyrme model and find good agreement with the Paris potential. This solves a problem that has been open for more than thirty years and gives a new geometric understanding…

High Energy Physics - Theory · Physics 2022-08-10 Chris Halcrow , Derek Harland

This paper presents a detailed assessment of the ability of the 240 Skyrme interaction parameter sets in the literature to satisfy a series of criteria derived from macroscopic properties of nuclear matter in the vicinity of nuclear…

Nuclear Theory · Physics 2014-06-26 M. Dutra , O. Lourenço , J. S. Sá Martins , A. Delfino , J. R. Stone , P. D. Stevenson