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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

Modern density functional approximations achieve moderate accuracy at low computational cost for many electronic structure calculations. Some background is given relating the gradient expansion of density functional theory to the WKB…

Chemical Physics · Physics 2021-01-27 Kieron Burke

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…

Chemical Physics · Physics 2016-12-04 Ralph Gebauer , Morrel H. Cohen , Roberto Car

Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…

chem-ph · Physics 2008-02-03 T. Grabo , E. K. U. Gross

Recently, a microscopically motivated nuclear energy density functional was derived by applying the density matrix expansion to the Hartree-Fock (HF) energy obtained from long-range chiral effective field theory two- and three-nucleon…

Nuclear Theory · Physics 2019-01-15 Y. N. Zhang , S. K. Bogner , R. J. Furnstahl

The exact-exchange relativistic density functional theory (Ex-RDFT) of atomic nuclei has been solved in three-dimensional lattice space for the first time. The exchange energy is treated within the framework of the orbital-dependent…

Nuclear Theory · Physics 2024-12-16 Qiang Zhao , Zhengxue Ren , Pengwei Zhao , Kenichi Yoshida

Microscopic calculations based on realistic nuclear hamiltonians, while yielding accurate results for the energies of the ground and low-lying excited states of nuclei with $A \leq 12$, fail to reproduce the empirical equilibrium properties…

We study the scattering of Dark Matter particles off various light nuclei within the framework of chiral effective field theory. We focus on scalar interactions and include one- and two-nucleon scattering processes whose form and strength…

High Energy Physics - Phenomenology · Physics 2017-10-04 C. Körber , A. Nogga , J. de Vries

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

The expressions for the energy-weighted sum rule of the isoscalar and isovector coordinate operators are derived based on the second-order fluctuation of the local densities. Conventional derivation of the Thouless theorem for the…

Nuclear Theory · Physics 2019-08-09 Nobuo Hinohara

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

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…

Materials Science · Physics 2016-08-24 Jianmin Tao , Yuxiang Mo

A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…

Chemical Physics · Physics 2011-06-15 Dimitri Laikov

Three-nucleon forces are an essential ingredient for an accurate description of nuclear few- and many-body systems. However, implementing them directly in many-body calculations is technically very challenging. Thus, there is a need for an…

Nuclear Theory · Physics 2021-01-07 Lukas Treuer

We apply the density matrix expansion (DME) at Hartree-Fock level with long-range chiral effective field theory interactions defined in coordinate space up to next-to-next-to-leading order. We consider chiral potentials both with and…

Nuclear Theory · Physics 2017-05-26 A. Dyhdalo , S. K. Bogner , R. J. Furnstahl

We develop a nuclear mass model that is based on chiral effective field theory at next-to-next-to leading order. Nuclear binding energies are computed via the Hartree-Fock method using a Hamiltonian from delta-full chiral effective field…

Nuclear Theory · Physics 2025-04-30 C. Mishra , A. Ekström , G. Hagen , M. Menickelly , T. Papenbrock , S. M. Wild

We study the equation of state of neutron matter at finite temperature based on two- and three-nucleon interactions derived within chiral effective field theory to next-to-next-to-next-to-leading order. The free energy, pressure, entropy,…

Nuclear Theory · Physics 2021-05-18 J. Keller , C. Wellenhofer , K. Hebeler , A. Schwenk

Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved. Several DME implementation strategies are tested for neutron drop…

Nuclear Theory · Physics 2013-05-29 S. K. Bogner , R. J. Furnstahl , H. Hergert , M. Kortelainen , P. Maris , M. Stoitsov , J. P. Vary

A current objective of low-energy nuclear theory is to build non-empirical nuclear energy density functionals (EDFs) from underlying inter-nucleon interactions and many-body perturbation theory (MBPT). The density matrix expansion (DME) of…

Nuclear Theory · Physics 2014-11-20 B. Gebremariam , T. Duguet , S. K. Bogner

Effects of the non-Newtonian gravity on properties of finite nuclei are studied by consistently incorporating both the direct and exchange contribution of the Yukawa potential in the Hartree-Fock approach using a well-tested Skyrme force…

Solar and Stellar Astrophysics · Physics 2013-02-13 Jun Xu , Bao-An Li , Lie-Wen Chen , Hao Zheng