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Related papers: Density Functional Theory: Methods and Problems

200 papers

Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research and though the modern form of DFT has been studied for almost 60 years, some…

The main goal of the present contribution is a pedagogical introduction to the fascinating world of neutron stars by relying on relativistic density functional theory. Density functional theory provides a powerful--and perhaps…

Nuclear Theory · Physics 2016-03-23 J. Piekarewicz

The application of the effective field theory (EFT) method to nuclear systems is reviewed. The roles of degrees of freedom, QCD symmetries, power counting, renormalization, and potentials are discussed. EFTs are constructed for various…

Nuclear Theory · Physics 2008-11-26 U. van Kolck

I review recent developments in the application of effective field theory to nuclear physics. Emphasis is placed on precision two-body calculations and efforts to formulate the nuclear shell model in terms of an effective field theory.

Nuclear Theory · Physics 2007-05-23 Martin J. Savage

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

Computational Physics · Physics 2016-08-02 Jeffrey M. McMahon

We introduce a new class of effective interactions to be used within the energy-density-functional approaches. They are based on regularized zero-range interactions and constitute a consistent application of the effective-theory methodology…

Nuclear Theory · Physics 2012-10-29 J. Dobaczewski , K. Bennaceur , F. Raimondi

A microscopic framework of nuclear energy density functionals is reviewed, which establishes a direct relation between low-energy QCD and nuclear structure, synthesizing effective field theory methods and principles of density functional…

Nuclear Theory · Physics 2008-11-26 Dario Vretenar

Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or…

Nuclear Theory · Physics 2020-06-19 N. Schunck , J. O'Neal , M. Grosskopf , E. Lawrence , S. M. Wild

The Skyrme nuclear energy density functional theory (DFT) is used to model neutron-induced fission in actinides. This paper focuses on the numerical implementation of the theory. In particular, it reports recent advances in DFT code…

Nuclear Theory · Physics 2015-06-12 N. Schunck

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…

Nuclear Theory · Physics 2015-12-23 N. Schunck , J. D. McDonnell , D. Higdon , J. Sarich , S. M. Wild

Machine learning has now become an integral part of research and innovation. The field of machine learning density functional theory has continuously expanded over the years while making several noticeable advances. We briefly discuss the…

Chemical Physics · Physics 2021-12-13 Bhupalee Kalita , Kieron Burke

We propose a novel idea to construct an effective interaction under energy-density-functional (EDF) theories which is adaptive to the enlargement of the model space. Guided by effective field theory principles, iterations of interactions as…

Nuclear Theory · Physics 2022-07-22 C. J. Yang , W. G. Jiang , S. Burrello , M. Grasso

We review some of the basic mathematical results about density functional theory.

Mathematical Physics · Physics 2023-04-12 Heinz Siedentop

These lectures give an overview of the ongoing application of effective field theory (EFT) and renormalization group (RG) concepts and methods to density functional theory (DFT), with special emphasis on the nuclear many-body problem.

Nuclear Theory · Physics 2015-06-26 R. J. Furnstahl

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

Spatial symmetries of the densities appearing in the nuclear Density Functional Theory are discussed. General forms of the local densities are derived by using methods of construction of isotropic tensor fields. The spherical and axial…

Nuclear Theory · Physics 2010-07-21 S. G. Rohozinski , J. Dobaczewski , W. Nazarewicz

Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a…

We present a brief review of the classical density functional theory of atomic and molecular fluids. We focus on the application of the theory to the determination of the solvation properties of arbitrary molecular solutes in arbitrary…

Chemical Physics · Physics 2015-04-06 Guillaume Jeanmairet , Maximilien Levesque , Volodymyr Sergiievskyi , Daniel Borgis

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

We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…

Other Condensed Matter · Physics 2009-11-13 F. A. Reboredo , P. R. C. Kent