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Nowdays, modern microscopic approaches for fission are generally based on the framework of nuclear density functional theory (DFT), which has enabled a self-consistent treatment of both static and dynamic aspects of fission. The key issue…

Nuclear Theory · Physics 2023-09-08 Zeyu Li , Shengyuan Chen , Minghui Zhou , Yongjing Chen , Zhipan Li

Surface and curvature properties of asymmetric nuclear matter are studied beyond the proton drip. Using the semiclassical extended Thomas-Fermi method, the calculations are performed in the non-relativistic and relativistic meson field…

Nuclear Theory · Physics 2009-10-30 M. Centelles , M. Del Estal , X. Vinas

The application of density functional theory to nuclear structure is discussed, highlighting the current status of the effective action approach using effective field theory, and outlining future challenges.

Nuclear Theory · Physics 2009-11-10 R. J. Furnstahl

Naive dimensional analysis based on chiral effective theory, when adapted to nuclear energy density functionals, prescribes natural units and a hierarchy of contributions that could be used to constrain fits of generalized functionals. By…

Nuclear Theory · Physics 2014-11-21 M. Kortelainen , R. J. Furnstahl , W. Nazarewicz , M. V. Stoitsov

Kohn-Sham density functional theory is the base of modern computational approaches to electronic structures. Their accuracy vitally relies on the exchange-correlation energy functional, which encapsulates electron-electron interaction…

Computational Physics · Physics 2019-11-04 Ryo Nagai , Ryosuke Akashi , Osamu Sugino

We present a detailed description of high-energy neutrino and antineutrino inelastic inclusive scattering off nuclei in terms of nuclear structure functions. In our approach we take into account a QCD description of the nucleon structure…

High Energy Physics - Phenomenology · Physics 2008-11-26 S. A. Kulagin , R. Petti

Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…

Other Condensed Matter · Physics 2015-06-24 Robert K. Nesbet

We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…

Materials Science · Physics 2007-05-23 Thomas Kreibich , Robert van Leeuwen , E. K. U. Gross

Relativistic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing a complete and accurate, global description of nuclear ground states and collective excitations. Guided by the medium…

Nuclear Theory · Physics 2015-05-27 Tamara Niksic , Dario Vretenar , Peter Ring

The results of systematic calculations of isospin-symmetry-breaking corrections to superallowed beta-decays based on the self-consistent isospin- and angular-momentum-projected nuclear density functional theory (DFT) are reviewed with an…

Nuclear Theory · Physics 2013-07-08 W. Satula , J. Dobaczewski , M. Konieczka , W. Nazarewicz

The intrinsic nuclear shapes deviating from a sphere not only manifest themselves in nuclear collective states but also play important roles in determining nuclear potential energy surfaces (PES's) and fission barriers. In order to describe…

Nuclear Theory · Physics 2016-05-24 Shan-Gui Zhou

We present the basic concepts and recent developments in the time-dependent density functional theory (TDDFT) for describing nuclear dynamics at low energy. The symmetry breaking is inherent in nuclear energy density functionals (EDFs),…

Nuclear Theory · Physics 2016-12-21 Takashi Nakatsukasa , Kenichi Matsuyanagi , Masayuki Matsuo , Kazuhiro Yabana

Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature materials to warm dense matter. Its accuracy critically depends…

Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…

Chemical Physics · Physics 2019-08-19 Stefan Vuckovic , Suhwan Song , John Kozlowski , Eunji Sim , Kieron Burke

Through ensemble learning with multitasking and complex connection neural networks, we aggregated nuclear properties, including ground state charge radii, binding energies, and single-particle state information obtained from the Kohn-Sham…

Nuclear Theory · Physics 2023-10-18 Zu-Xing Yang , Xiao-Hua Fan , Zhi-Pan Li , Haozhao Liang

Quantum molecular dynamics is applied to study the ground state properties of nuclear matter at subsaturation densities. Clustering effects are observed as to soften the equation of state at these densities. The structure of nuclear matter…

With the advent of new synthesis and large-scale production technologies, nanostructured gas-adsorbent materials (GAM) like carbon nanocomposites and metal-organic frameworks are becoming increasingly more influential in our everyday lives.…

Materials Science · Physics 2015-04-01 Claudio Cazorla

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

This work continues a program to systematically generalize the Skyrme Hartree-Fock method for medium and heavy nuclei by applying effective field theory (EFT) methods to Kohn-Sham density functional theory (DFT). When conventional Kohn-Sham…

Nuclear Theory · Physics 2007-05-23 Anirban Bhattacharyya , R. J. Furnstahl

This chapter presents controlled approximations of Kohn-Sham density functional theory (DFT) that enable very large scale simulations. The work is motivated by the study of defects in crystalline solids, though the ideas can be used in…

Materials Science · Physics 2021-12-14 Kaushik Bhattacharya , Vikram Gavini , Michael Ortiz , Mauricio Ponga , Phanish Suryanarayana
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