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Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the…

Nuclear Theory · Physics 2015-02-06 Nicolas Schunck , Jordan D. McDonnell , Jason Sarich , Stefan M. Wild , Dave Higdon

Density Functional Theory (DFT) is a powerful and accurate tool exploited in Nuclear Physics to investigate the ground-state and some collective properties of nuclei along the whole nuclear chart. Models based on DFT are, however, not…

Nuclear Theory · Physics 2017-10-26 X. Roca-Maza , Y. F. Niu , G. Colò , P. F. Bortignon

From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z=118), it is estimated that as many as about 3000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but…

We discuss possible avenues to study fission dynamics starting from a time-dependent mean-field approach. Previous attempts to study fission dynamics using the time-dependent Hartree-Fock (TDHF) theory are analyzed. We argue that different…

Nuclear Theory · Physics 2015-05-18 A. S. Umar , V. E. Oberacker , J. A. Maruhn , P. -G. Reinhard

We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…

Computational Physics · Physics 2020-01-08 Sebastian Dick , Marivi Fernandez-Serra

Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…

Chemical Physics · Physics 2023-11-17 P. del Mazo-Sevillano , J. Hermann

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

We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic…

Nuclear Theory · Physics 2022-10-06 P. L. Sassarini , J. Dobaczewski , J. Bonnard , R. F. Garcia Ruiz

We introduce two-body nuclear conditional probabilities that allow the definition of an intrinsic reference frame and the multipole moments of angular-momentum-$J$-conserving states. This enables the characterization of quadrupole…

Nuclear Theory · Physics 2026-05-26 X. Sun , J. Dobaczewski , W. Nazarewicz , H. Wibowo

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

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

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

We describe the fission dynamics of $^{240}$Pu within an implementation of the Density Functional Theory (DFT) extended to superfluid systems and real-time dynamics. We demonstrate the critical role played by the pairing correlations, which…

Nuclear Theory · Physics 2017-06-29 Aurel Bulgac , Shi Jin , Piotr Magierski , Kenneth J. Roche , Ionel Stetcu

In a recent series of papers, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the Density Matrix Expansion (DME) to the Hartree-Fock energy obtained from chiral effective field…

Nuclear Theory · Physics 2010-12-02 M. Stoitsov , M. Kortelainen , S. K. Bogner , T. Duguet , R. J. Furnstahl , B. Gebremariam , N. Schunck

New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…

Nuclear Theory · Physics 2018-09-26 Jérémy Bonnard , Marcella Grasso , Denis Lacroix

Fission resulting from collision of atomic nuclei is systematically investigated based on time-dependent density functional calculations. Time-dependent density functional theory (TDDFT) is a framework, which enables us to treat quantum…

Nuclear Theory · Physics 2019-03-26 Yoritaka Iwata

The dynamics of low-energy induced fission is explored using a consistent microscopic framework that combines the time-dependent generator coordinate method (TDGCM) and time-dependent nuclear density functional theory (TDDFT). While the…

Nuclear Theory · Physics 2022-04-27 Z. X. Ren , J. Zhao , D. Vretenar , T. Niksic , P. W. Zhao , J. Meng

Reliable calculations of the structure of heavy elements are crucial to address fundamental science questions such as the origin of the elements in the universe. Applications relevant for energy production, medicine, or national security…

In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…

Nuclear Theory · Physics 2015-10-28 Denis Lacroix , Yusuke Tanimura , Guillaume Scamps , Cédric Simenel

A notable issue, the proper description of mass and charge distributions of fission fragments within nonadiabatic descriptions of fission dynamics, is investigated by performing double particle number projection on the outcomes of…

Nuclear Theory · Physics 2024-10-15 Yun Huang , Xiang-Xiang Sun , Lu Guo