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We first develop a descriptor-based representation of atomic environments by devising two local similarity indices defined from an atom-partitioned quantum-chemical descriptor. Then, we employ this representation to explore the size-,…

Materials Science · Physics 2014-02-06 M İ Törehan Balta , Çetin Kılıç

We report a quantum Monte Carlo calculation of the equation of state of symmetric nuclear matter using local interactions derived from chiral effective field theory up to next-to-next-to-leading order fit to few-body observables only. The…

Nuclear Theory · Physics 2020-05-13 D. Lonardoni , I. Tews , S. Gandolfi , J. Carlson

It is widely believed that chiral symmetry is restored not only at high temperatures, but also at high nuclear densities. The drop of the order parameter of the chiral phase transition, the chiral condensate, with density has indeed been…

High Energy Physics - Phenomenology · Physics 2009-01-30 Ulrich Mosel

In many of the approximate functionals in one-body reduced density matrix (1RDM) functional theory, the approximate two-body reduced density matrix (2RDM) in the natural orbital representation only depends on the natural occupation numbers.…

Chemical Physics · Physics 2020-11-24 Klaas J. H. Giesbertz

The main progress in the field of nucleon-nucleon (NN) potentials, which we have seen in recent years, is the construction of some very quantitative (high-quality/high-precision) NN potentials. These potentials will serve as excellent input…

Nuclear Theory · Physics 2007-05-23 R. Machleidt

A classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requires the knowledge of pure solvent direct correlation…

Chemical Physics · Physics 2014-09-01 Guillaume Jeanmairet

I outline why the renormalisation group is needed to analyse the scale dependence and hence determine the power counting for effective theories of strongly interacting systems. I summarise the results of several such analyses for two- and…

Nuclear Theory · Physics 2014-11-20 Michael C. Birse

The parameters of the UNEDF2 nuclear energy density functional (EDF) model were obtained in an optimization to experimental data consisting of nuclear binding energies, proton radii, odd-even mass staggering data, fission-isomer excitation…

Effective field theory is applied to finite-density systems with an unnaturally large scattering length, such as neutron matter. A new organizational scheme is identified and connected with an expansion in inverse powers of the number of…

Nuclear Theory · Physics 2007-05-23 James V. Steele

A new Skyrme-like energy density suitable for studies of strongly elongated nuclei has been determined in the framework of the Hartree-Fock-Bogoliubov theory using the recently developed model-based, derivative-free optimization algorithm…

It seems self-evident that a density functional calculation should be normalized to the number of electrons in the system. We present multiple examples where the accuracy of the approximate energy is improved (sometimes greatly) by…

Chemical Physics · Physics 2026-03-13 Adam Clay , Kiril Datchev , Wenlan Miao , Adam Wasserman , Kimberly J. Daas , Kieron Burke

Radii of charge and neutron distributions are fundamental nuclear properties. They depend on both nuclear interaction parameters related to the equation of state of infinite nuclear matter and on quantal shell effects, which are strongly…

Nuclear Theory · Physics 2016-08-17 P. -G. Reinhard , W. Nazarewicz

Nuclear matter is studied within the Density Functional Theory (DFT) framework. Our method employs a finite number of nucleons in a box subject to periodic boundary conditions, in order to simulate infinite matter and study its response to…

Nuclear Theory · Physics 2023-04-26 Francesco Marino , Gianluca Colò , Xavier Roca-Maza , Enrico Vigezzi

This note describes five subjects of some interest for the density functional theory in nuclear physics. These are, respectively, i) the need for concave functionals, ii) the nature of the Kohn-Sham potential for the radial density theory,…

Nuclear Theory · Physics 2015-05-14 B. G. Giraud

Due to the internal structure of the nucleon, we should expect, in general, that the effective meson nucleon parameters may change in nuclear medium. We study such changes by using a chiral confining model of the nucleon. We use…

Nuclear Theory · Physics 2016-08-15 M. K. Banerjee , J. A. Tjon

The framework of nuclear energy density functionals is applied to a study of the formation and evolution of cluster states in nuclei. The relativistic functional DD-ME2 is used in triaxial and reflection-asymmetric relativistic…

Nuclear Theory · Physics 2015-06-19 J. P. Ebran , E. Khan , T. Niksic , D. Vretenar

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.

Nuclear Theory · Physics 2008-11-26 B. G. Giraud

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

During the past two decades, it has been demonstrated that chiral effective field theory represents a powerful tool to deal with nuclear forces in a systematic and model-independent way. Two-, three-, and four-nucleon forces have been…

Nuclear Theory · Physics 2015-06-11 R. Machleidt , Q. MacPherson , E. Marji , R. Winzer , Ch. Zeoli , D. R. Entem

Chiral effective field theory has established itself as the method of choice to study nuclear forces and low-energy nuclear dynamics. I review the status and prospects of this approach and discuss ongoing efforts to advance the precision…

Nuclear Theory · Physics 2015-10-27 Evgeny Epelbaum