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We theoretically investigate the optically-induced demagnetization of ferromagnetic FePt using the time-dependent density functional theory (TDDFT). We compare the demagnetization mechanism in the perturbative and nonperturbative limits of…

Materials Science · Physics 2024-04-26 M. S. Mrudul , Peter M. Oppeneer

Octupole vibrations are studied in some doubly magic nuclei using the time-dependent Hartree-Fock (TDHF) theory with a Skyrme energy density functional. Through the use of the linear response theory, the energies and transition amplitudes…

Nuclear Theory · Physics 2016-09-07 C. Simenel , J. Buete , K. Vo-Phuoc

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT…

Materials Science · Physics 2024-07-29 Karan Shah , Attila Cangi

We present a new numerical tool designed to probe the dense layers of neutron star crusts. It is based on the time-dependent Hartree-Fock-Bogoliubov theory with generalized Skyrme nuclear energy-density functionals of the Brussels-Montreal…

Nuclear Theory · Physics 2024-12-05 Daniel Pȩcak , Agata Zdanowicz , Nicolas Chamel , Piotr Magierski , Gabriel Wlazłowski

Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence…

Quantum Physics · Physics 2014-08-22 J. D. Whitfield , M. -H. Yung , D. G. Tempel , S. Boixo , A. Aspuru-Guzik

The $N$-particle wavefunction has too many dimensions for a direct time propagation of a many-body system according to the time-dependent Schr\"odinger equation (TDSE). On the other hand, time-dependent density functional theory (TDDFT)…

Computational Physics · Physics 2017-11-21 M. Brics , J. Rapp , D. Bauer

This review is based on lectures given by the author at the Enrico Fermi Summer School in Varenna. It presents the basics of Density Functional Theory (DFT) for Fermi superfluids, with particular emphasis on nuclear systems. Special…

Superconductivity · Physics 2025-10-10 Piotr Magierski

We discuss the construction of a nuclear Energy Density Functional (EDF) from ab initio calculations, and we advocate the need of a methodical approach that is free from ad hoc assumptions. The equations of state (EoS) of symmetric nuclear…

Nuclear Theory · Physics 2021-08-18 F. Marino , C. Barbieri , G. Colò , A. Lovato , F. Pederiva , X. Roca-Maza , E. Vigezzi

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

Background: Direct measurement of the electric dipole moment (EDM) of the neutron lies in the future; measurement of a nuclear EDM may well come first. The deuteron is one nucleus for which exact model calculations are feasible. Purpose: We…

Nuclear Theory · Physics 2010-12-28 Iraj R. Afnan , Benjamin F. Gibson

A compressible liquid-drop approach adjusted to uniform matter many-body calculations based on chiral EFT interactions and to the experimental nuclear masses is used to investigate the neutron star crust properties. Eight chiral EFT…

Nuclear Theory · Physics 2021-09-27 Grams , G. , Margueron , J. , Somasundaram , R. , Reddy , S

The application of methods of time-dependent density functional theory (TDDFT) to systems of qubits provided the interesting possibility of simulating an assigned Hamiltonian evolution by means of an auxiliary Hamiltonian having different…

Quantum Physics · Physics 2012-03-08 Diego de Falco , Dario Tamascelli

Time-dependent orbital-free density functional theory (TD-OFDFT) is an efficient ab-initio method for calculating the electronic dynamics of large systems. In comparison to standard TD-DFT, it computes only a single electronic state…

Chemical Physics · Physics 2021-12-15 Kaili Jiang , Xuecheng Shao , Michele Pavanello

On the basis of new photon scattering measurements and a reevaluation of average neutron resonance capture data we investigate how well Lorentzians adjusted to photo-neutron data in the giant dipole resonances give a good description of the…

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

The density linear response function for an inhomogeneous system of electrons in equilibrium with an array of fixed ions is considered. Two routes to its evaluation for extreme conditions (e.g., warm dense matter) are considered. The first…

Statistical Mechanics · Physics 2018-09-12 James Dufty , Kai Luo , S. B. Trickey

It was recently shown [Y. Suzuki, L. Lacombe, K. Watanabe, and N. T. Maitra, Phys. Rev. Lett. 119, 263401 (2017)] that peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory are…

Chemical Physics · Physics 2018-07-04 Lionel Lacombe , Yasumitsu Suzuki , Kazuyuki Watanabe , Neepa T. Maitra

Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural…

Nuclear Theory · Physics 2007-05-23 S. J. Puglia , A. Bhattacharyya , R. J. Furnstahl

Within the framework of time-dependent density-functional theory (TDDFT), we derive the dynamical linear response of LDA+U functional and benchmark it on NiO, a prototypical Mott insulator. Formulated using real-space Wannier functions, our…

Strongly Correlated Electrons · Physics 2010-09-06 Chi-Cheng Lee , H. C. Hsueh , Wei Ku

We propose a novel idea to construct an effective interaction under energy-density-functional (EDF) theories which is adaptive to the enlargement of the model space. Guided by effective field theory principles, iterations of interactions as…

Nuclear Theory · Physics 2022-07-22 C. J. Yang , W. G. Jiang , S. Burrello , M. Grasso