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We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed as enriched finite element (EFE) basis. The EFE basis…

Chemical Physics · Physics 2022-10-27 Bikash Kanungo , Nelson D. Rufus , Vikram Gavini

Linear-response time-dependent density functional theory (LR-TDDFT) simulations of disordered extended systems require averaging over different snapshots of ion configurations to minimize finite size effects due to the snapshot--dependence…

Computational Physics · Physics 2023-07-19 Zhandos A. Moldabekov , Jan Vorberger , Mani Lokamani , Tobias Dornheim

We develop a calculation method for describing the direct and pre-equilibrium processes in neutron-induced reactions based on the framework of noniterative finite amplitude method (FAM) and distorted-wave Born approximation (DWBA). The…

Nuclear Theory · Physics 2025-07-28 Hirokazu Sasaki , Toshihiko Kawano , Marc Dupuis

A complete solution to the inverse problem of Kohn-Sham (KS) density functional theory is proposed. Our method consists of two steps. First, the effective KS potential is determined from the ground state density of a given system. Then, the…

Nuclear Theory · Physics 2022-03-14 A. Liardi , F. Marino , G. Colò , X. Roca-Maza , E. Vigezzi

We develop a new formulation of the continuum quasiparticle random phase approximation (QRPA) in which the residual interaction is derived directly from the Skyrme energy functional, keeping all the velocity dependent terms of the Skyrme…

Nuclear Theory · Physics 2012-09-24 Kazuhito Mizuyama , Masayuki Matsuo , Yasuyoshi Serizawa

Making use of the operator product expansion, we derive a general class of sum rules for the imaginary part of the single-particle self-energy of the unitary Fermi gas. The sum rules are analyzed numerically with the help of the maximum…

Quantum Gases · Physics 2015-04-10 Philipp Gubler , Naoki Yamamoto , Tetsuo Hatsuda , Yusuke Nishida

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

Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…

Computational Physics · Physics 2023-10-25 Yang Kuang , Yedan Shen , Guanghui Hu

The current generation of covariant mean-field models has had many successes in calculations of bulk observables for medium to heavy nuclei, but there remain many open questions. New challenges are confronted when trying to systematically…

Nuclear Theory · Physics 2017-01-25 R. J. Furnstahl

The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…

Quantum Physics · Physics 2025-12-23 Antonio Palamara , Francesco Plastina , Antonello Sindona , Irene D'Amico

We present the basic concepts and our recent developments in the density functional approaches with the Skyrme functionals for describing nuclear dynamics at low energy. The time-dependent density-functional theory (TDDFT) is utilized for…

Nuclear Theory · Physics 2013-10-16 Takashi Nakatsukasa

The sum rule formalism is used to evaluate rigorous bounds for the density and current static response functions in superfluid helium at zero temperature. Both lower and upper bounds are considered. The bounds are expressed in terms of…

Condensed Matter · Physics 2009-10-22 F. Dalfovo , S. Stringari

The adiabatic connection formula of ground-state density functional theory relates the correlation energy to a coupling-constant integral over a purely potential contribution, and is widely used to understand and improve approximations. The…

Chemical Physics · Physics 2016-06-01 Aurora Pribram-Jones , Kieron Burke

The energy density functional (EDF) method is very widely used in nuclear physics, and among the various existing functionals those based on the relativistic Hartree (RH) approximation are very popular because the exchange contributions…

Nuclear Theory · Physics 2014-05-16 Nguyen Van Giai , Haozhao Liang , Huai-Qiang Gu , Wenhui Long , Jie Meng

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

Linear response functions are calculated for symmetric nuclear matter of normal density by time-evolving two-time Green's functions with conserving self-energy insertions, thereby satisfying the energy-sum rule. Nucleons are regarded as…

Nuclear Theory · Physics 2013-11-20 H. S. Kohler , N. H. Kwong

The nucleon spectral function in nuclear matter fulfills an energy weighted sum rule. Comparing two different realistic potential, these sum rules are studied for Green's functions that are derived self-consistently within the $T$ matrix…

Nuclear Theory · Physics 2009-11-10 T. Frick , H. Müther , A. Polls

The third moment frequency sum rule for the density-density correlation function is rederived in the presence of Umklapp processes. Upper and lower bounds on the electron-electron Coulomb energy are derived in two-dimensional and…

Superconductivity · Physics 2009-11-07 Misha Turlakov , Anthony J. Leggett

Warm dense matter (WDM) -- an exotic state of highly compressed matter -- has attracted high interest in recent years in astrophysics and for dense laboratory systems. At the same time, this state is extremely difficult to treat…

A study of parameter sensitivity of nuclear energy density functionals, initiated in the first part of this work \cite{NV.16}, is extended by the inclusion of data on ground-state properties of finite nuclei in the application of the…

Nuclear Theory · Physics 2017-05-24 Tamara Nikšić , Marko Imbrišak , Dario Vretenar
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