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Related papers: Pairing dynamics and time dependent density functi…

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We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter…

Chemical Physics · Physics 2016-03-23 Elisa Rebolini , Julien Toulouse

A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting point for non- adiabatic approximations. The components are…

Chemical Physics · Physics 2018-11-14 Johanna I. Fuks , Lionel Lacombe , Soeren E. B. Nielsen , Neepa T. Maitra

Energy transfer processes from a high-intensity ultrashort laser pulse to electrons in simple dielectrics, silicon, diamond, and $\alpha$-quartz are theoretically investigated by first-principles calculations based on time-dependent density…

Optics · Physics 2019-05-22 Atsushi Yamada , Kazuhiro Yabana

The time-dependent density functional theory (TDDFT) has been broadly used to investigate the excited-state properties of various molecular systems. However, the current TDDFT heavily relies on outcomes from the corresponding ground-state…

Chemical Physics · Physics 2020-09-02 Shu-Hao Yeh , Aaditya Manjanath , Yuan-Chung Cheng , Jeng-Da Chai , Chao-Ping Hsu

We revisit recent developments in the theoretical foundations of time-dependent density functional theory (TDDFT). TDDFT is then applied to the calculation of total cross sections for ionization processes in the antiproton-Helium collision…

Atomic Physics · Physics 2011-03-28 N. Henkel , M. Keim , H. J. Lüdde , T. Kirchner

The electric dipole (E1) strength functions have been systematically calculated based on the time-dependent density functional theory (TDDFT), using the finite amplitude method and the real-time approach to the TDDFT with pairing…

Nuclear Theory · Physics 2017-08-23 Shuichiro Ebata , Tsunenori Inakura , Takashi Nakatsukasa

The response of an extended periodic system to a homogeneous field (of wave-vector $q=0$) cannot be obtained from a $q=0$ time-dependent density functional theory (TDDFT) calculation, because the Runge-Gross theorem does not apply.…

Materials Science · Physics 2016-08-31 Neepa T. Maitra , Ivo Souza , Kieron Burke

Imaginary-time time-dependent Density functional theory (it-TDDFT) has been proposed as an alternative method for obtaining the ground state within density functional theory (DFT) which avoids some of the difficulties with convergence…

Computational Physics · Physics 2021-11-09 John McFarland , Efstratios Manousakis

The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…

Nuclear Theory · Physics 2007-05-23 S. Krewald , V. B. Soubbotin , V. I. Tselyaev , X. Vinas

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the…

Nuclear Theory · Physics 2021-08-24 Shi Jin , Kenneth J. Roche , Ionel Stetcu , Ibrahim Abdurrahman , Aurel Bulgac

A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…

Chemical Physics · Physics 2025-11-27 Yetmgeta Aklilu , Matthew Shepherd , Cody L. Covington , Kalman Varga

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

Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…

Chemical Physics · Physics 2025-04-02 Tim Gould

We present a new methodology for the linear-response time-dependent density functional theory (LR-TDDFT) calculation of the dynamic density response function of warm dense matter in an adiabatic approximation that can be used with any…

Computational Physics · Physics 2023-05-12 Zhandos A. Moldabekov , Michele Pavanello , Maximilian P. Boehme , Jan Vorberger , Tobias Dornheim

The number and properties of the neutrons and photons emitted in nuclear fission are directly related to the excitation energy of the fission fragments when they are formed at scission. Though not observable experimentally because of the…

Nuclear Theory · Physics 2025-10-09 Antonio Bjelčić , Nicolas Schunck , Marc Verriere

By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…

Quantum Physics · Physics 2009-11-13 Xiao Zheng , Fan Wang , Chi Yung Yam , Yan Mo , GuanHua Chen

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

Spectroscopies that probe electronic excitations from core levels into unoccupied orbitals, such as X-ray absorption spectroscopy and electron energy loss spectroscopy, are widely used to gain insight into the electronic and chemical…

Materials Science · Physics 2022-09-12 Marcus Annegarn , Juhan Matthias Kahk , Johannes Lischner

The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…

Chemical Physics · Physics 2009-11-10 Junzo Chihara , Mitsuru Yamagiwa

We use analytic (current) density-potential maps of time-dependent (current) density functional theory (TD(C)DFT) to inverse engineer analytically solvable time-dependent quantum problems. In this approach the driving potential (the control…

Quantum Physics · Physics 2016-06-01 Mehdi Farzanehpour , I. V. Tokatly