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Related papers: Isospin mixing within the multi-reference nuclear …

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We present results of systematic calculations of the isospin-symmetry-breaking corrections to the superallowed I=$0+,T=1 --> I=0+,T=1 beta-decays, based on the self-consistent isospin- and angular-momentum-projected nuclear density…

Nuclear Theory · Physics 2014-08-05 W. Satula , J. Dobaczewski , M. Konieczka , W. Nazarewicz

We present the isospin- and angular-momentum-projected nuclear density functional theory (DFT) and its applications to the isospin-breaking corrections to the superallowed beta-decay rates in the vicinity of the N=Z line. A preliminary…

Nuclear Theory · Physics 2011-04-05 W. Satula , J. Dobaczewski , W. Nazarewicz , M. Borucki , M. Rafalski

Theoretical approaches that use one-body densities as dynamical variables, such as Hartree-Fock or the density functional theory (DFT), break isospin symmetry both explicitly, by virtue of charge-dependent interactions, and spontaneously.…

Nuclear Theory · Physics 2011-06-28 W. Satula , J. Dobaczewski , W. Nazarewicz , M. Rafalski

Spin and isospin are essential degrees of freedom in nuclear systems, and the relevant studies on their properties play important roles not only in nuclear physics but also in nuclear astrophysics, particle physics, and so on. In this…

Nuclear Theory · Physics 2018-10-09 Haozhao Liang

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

The superallowed beta-decay rates that provide stringent constraints on physics beyond the Standard Model of particle physics are affected by nuclear structure effects through isospin-breaking corrections. The self-consistent isospin- and…

Nuclear Theory · Physics 2011-04-05 W. Satula , J. Dobaczewski , W. Nazarewicz , M. Rafalski

We present the self-consistent, non-perturbative analysis of isospin mixing using the nuclear density functional approach and the rediagonalization of the Coulomb interaction in the good-isospin basis. The largest isospin-breaking effects…

Nuclear Theory · Physics 2009-09-02 W. Satula , J. Dobaczewski , W. Nazarewicz , M. Rafalski

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

This paper overviews various phenomena related to the concept of isospin symmetry. The focus is on N~Z nuclei, which are excellent laboratories of isospin physics. The theoretical framework applied is nuclear Density Functional Theory and…

Nuclear Theory · Physics 2016-03-04 Wojciech Satula , Witold Nazarewicz

Background: The superallowed beta-decay rates provide stringent constraints on physics beyond the Standard Model of particle physics. To extract crucial information about the electroweak force, small isospin-breaking corrections to the…

Nuclear Theory · Physics 2013-05-30 W. Satula , J. Dobaczewski , W. Nazarewicz , T. R. Werner

Nuclear density functional theory (DFT) is able to reproduce the saturation properties of nuclear matter, as well as properties of finite nuclei. Consequently, the DFT calculations are applicable to nuclei across a wide range of masses on…

Nuclear Theory · Physics 2025-06-12 Kota Yoshinaga , Noritaka Shimizu , Takashi Nakatsukasa

The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…

Chemical Physics · Physics 2012-10-26 Christoph R. Jacob , Markus Reiher

Isospin symmetry of atomic nuclei is explicitly broken by the charge-dependent interactions, primarily the Coulomb force. Within the nuclear density functional theory, isospin is also broken spontaneously. We propose a projection scheme…

Nuclear Theory · Physics 2010-10-26 W. Satula , J. Dobaczewski , W. Nazarewicz , M. Rafalski

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For…

Nuclear Theory · Physics 2025-09-30 Brendan T. Reed , Matthias Heinz , Pierre Arthuis , Achim Schwenk , Ingo Tews

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

Chemical Physics · Physics 2012-06-12 Hauke Paulsen , Alfred Xaver Trautwein

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

We extend to strongly correlated molecular systems the recently introduced basis-set incompleteness correction based on density-functional theory (DFT) [E. Giner et al., J. Chem. Phys. 149, 194301 (2018)]. This basis-set correction relies…

Chemical Physics · Physics 2020-05-20 Emmanuel Giner , Anthony Scemama , Pierre-François Loos , Julien Toulouse

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

Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…

Nuclear Theory · Physics 2011-09-30 J. Dobaczewski

Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…

Chemical Physics · Physics 2015-06-12 Jason D. Goodpaster , Taylor A. Barnes , Frederick R. Manby , Thomas F. Miller
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