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To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional \textit{integral} representation would be relevant, because field theoretical approach…

Soft Condensed Matter · Physics 2009-10-31 H. Frusawa , R. Hayakawa

We discuss the relationship between modern time-dependent density functional theory and earlier time-periodic versions, and why the criticisms in a recent paper (Chem. Phys. Lett. {\bf 433} (2006) 204) of our earlier analysis (Chem. Phys.…

Materials Science · Physics 2007-05-23 Neepa T. Maitra , Kieron Burke

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

We formulate equations of time-dependent density functional theory (TDDFT) in the co-moving Lagrangian reference frame. The main advantage of the Lagrangian description of many-body dynamics is that in the co-moving frame the current…

Strongly Correlated Electrons · Physics 2009-11-10 I. V. Tokatly

We present dynamic density functional theory (DDFT) incorporating general inhomogeneous, incompressible, time dependent background flows and inertia, describing externally driven passive colloidal systems out of equilibrium. We start by…

Soft Condensed Matter · Physics 2024-09-11 Rory D. Mills-Williams , Benjamin D. Goddard , Andrew J. Archer

We make use of the time-dependent density functional theory to derive a new formally exact expression for the dc resistivity of metals with impurities. This expression takes fully into account the dynamics of electron-electron interactions.…

Strongly Correlated Electrons · Physics 2014-07-04 V. U. Nazarov , G. Vignale , Y. -C. Chang

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

A recent paper (Phys. Rev A. 75, 022513 (2007), arXiv:cond-mat/0602020) challenges exact time-dependent density functional theory (TDDFT) on several grounds. We explain why these criticisms are either irrelevant or incorrect, and that TDDFT…

Other Condensed Matter · Physics 2009-11-13 Neepa T. Maitra , Kieron Burke , Robert van Leeuwen

In the last 50 years, equilibrium density functional theory (DFT) has been proven to be a powerful, versatile and predictive approach for the statics and structure of classical particles. This theory can be extended to the nonequilibrium…

Soft Condensed Matter · Physics 2021-02-26 Hartmut Löwen

Quantized vortices carry the angular momentum in rotating superfluids, and are key to the phenomenon of quantum turbulence. Advances in ultra-cold atom technology enable quantum turbulence to be studied in regimes with both experimental and…

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

Mermin's "shut up and calculate!" somehow summarizes the most widely accepted view on quantum mechanics. This conception has led to a rather constraining way to think and understand the quantum world. Nonetheless, a closer look at the…

Quantum Physics · Physics 2014-04-17 A. S. Sanz

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

We evaluate the density matrix of an arbitrary quantum mechanical system in terms of the quantities pertinent to the solution of the time-dependent density functional theory (TDDFT) problem. Our theory utilizes the adiabatic connection…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Vladimir U. Nazarov

Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of…

Statistical Mechanics · Physics 2022-04-06 Aurel Bulgac , Ibrahim Abdurrahman , Gabriel Wlazłowski

A new and thorough derivation of linear-response subsystem time-dependent density functional theory (TD-DFT) is presented and analyzed in detail. Two equivalent derivations are presented and naturally yield self-consistent subsystem TD-DFT…

Chemical Physics · Physics 2013-06-12 Michele Pavanello

Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…

Chemical Physics · Physics 2015-06-24 Alisa Krishtal , Debalina Sinha , Alessandro Genova , Michele Pavanello

The nuclear time-dependent density functional theory (TDDFT) is a tool of choice for describing various dynamical phenomena in atomic nuclei. In a recent study, we reported an extension of the framework - the multiconfigurational TDDFT…

Nuclear Theory · Physics 2024-01-24 Petar Marević , David Regnier , Denis Lacroix

Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…

Plasma Physics · Physics 2020-04-29 Giovanni Manfredi

A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…

Condensed Matter · Physics 2007-05-23 Peter Borrmann