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Related papers: Uncertainty Quantification and Propagation in Nucl…

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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

Statistical tools of uncertainty quantification can be used to assess the information content of measured observables with respect to present-day theoretical models; to estimate model errors and thereby improve predictive capability; to…

Nuclear Theory · Physics 2015-03-26 J. D. McDonnell , N. Schunck , D. Higdon , J. Sarich , S. M. Wild , W. Nazarewicz

Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In…

Soft Condensed Matter · Physics 2023-03-21 Michael te Vrugt , Raphael Wittkowski

Nuclear structure models built from phenomenological mean fields, the effective nucleon-nucleon interactions (or Lagrangians), and the realistic bare nucleon-nucleon interactions are reviewed. The success of covariant density functional…

Nuclear Theory · Physics 2019-10-14 Shihang Shen , Haozhao Liang , Wen Hui Long , Jie Meng , Peter Ring

Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…

Chemical Physics · Physics 2015-06-24 Alisa Krishtal , Debalina Sinha , Alessandro Genova , Michele Pavanello

The systematic investigation of the ground state and fission properties of even-even actinides and superheavy nuclei with $Z=90-120$ from the two-proton up to two-neutron drip lines with proper assessment of systematic theoretical…

Nuclear Theory · Physics 2021-03-09 A. Taninah , S. E. Agbemava , A. V. Afanasjev

We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…

Nuclear Theory · Physics 2009-12-04 J. E. Drut , R. J. Furnstahl , L. Platter

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

We present a theoretical framework based on an extension of dynamical density functional theory (DDFT) for describing the structure and dynamics of cells in living tissues and tumours. DDFT is a microscopic statistical mechanical theory for…

Soft Condensed Matter · Physics 2018-09-03 Hayder M. Al-Saedi , Andrew J. Archer , John Ward

Orbital-free Density Functional Theory (OF-DFT) has been used when studying atoms, molecules and solids. In nuclear physics, there has been basically no application of OF-DFT so far, as the Density Functional Theory (DFT) has been widely…

Nuclear Theory · Physics 2023-08-03 Gianluca Colo' , Kouichi Hagino

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

The density functional theory (DFT) is the most versatile electronic structure method used in quantum chemical calculations, and is increasingly applied in astrochemical research. This mini-review provides an overview of the applications of…

Astrophysics of Galaxies · Physics 2023-10-24 Qingli Liao , Junzhi Wang , Peng Xie , Enwei Liang , Zhao Wang

Nuclear density functional theory provides a unified description of finite nuclei and bulk nuclear matter, and is widely used to model the neutron star equation of state. However, extrapolations to supra-saturation densities require a…

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

Computational Physics · Physics 2024-08-14 Yang Li , Zechen Tang , Zezhou Chen , Minghui Sun , Boheng Zhao , He Li , Honggeng Tao , Zilong Yuan , Wenhui Duan , Yong Xu

The parameters of the nuclear energy density have to be adjusted to experimental data. As a result they carry certain uncertainty which then propagates to calculated values of observables. In the present work we quantify the statistical…

Nuclear Theory · Physics 2017-04-05 T. Haverinen , M. Kortelainen

We test the applicability of density functional theory (DFT) to spectral perturbations taking an example of a Cs atom surrounded by superfluid helium. The atomic DFT of helium is used to obtain the distribution of helium atoms around the…

Atomic Physics · Physics 2008-12-18 Takashi Nakatsukasa , Kazuhiro Yabana , George F. Bertsch

Fundamentals of energy density functional in nuclear physics are presented. Much attention is paid to a mathematically rigorous treatment of deriving the energy density functional. The specific features of the density functional used in…

Nuclear Theory · Physics 2012-11-30 Yoritaka Iwata , Joachim A. Maruhn

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

We present parton distribution functions which include a quantitative estimate of its uncertainties. The parton distribution functions are optimized with respect to deep inelastic proton data, expressing the uncertainties as a density…

High Energy Physics - Phenomenology · Physics 2007-05-23 Walter T. Giele , Stephane A. Keller , David A. Kosower

Density functional theory (DFT) is applied to atomic spectra under perturbations of superfluid liquid helium. The atomic DFT of helium is used to obtain the distribution of helium atoms around the impurity atom, and the electronic DFT is…

Nuclear Theory · Physics 2017-08-23 Takashi Nakatsukasa , Kazuhiro Yabana , George F Bertsch