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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

In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…

Nuclear Theory · Physics 2015-10-28 Denis Lacroix , Yusuke Tanimura , Guillaume Scamps , Cédric Simenel

We apply in a schematic model a theory beyond mean-field, namely Stochastic Time-Dependent Hartree-Fock (STDHF), which includes dynamical electron-electron collisions on top of an incoherent ensemble of mean-field states by occasional…

Atomic and Molecular Clusters · Physics 2016-10-12 Lionel Lacombe , Paul-Gerhard Reinhard , Eric Suraud , Phuong Mai Dinh

Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach,…

Chemical Physics · Physics 2015-05-18 David G. Tempel , Mark A. Watson , Roberto Olivares-Amaya , Alán Aspuru-Guzik

The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…

Chemical Physics · Physics 2015-06-16 Rulin Wang , Dong Hou , Xiao Zheng

The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…

Quantum Physics · Physics 2022-11-30 Justin Malave , Alexander Ahrens , Daniel Pitagora , Cody Covington , Kálmán Varga

A recent interpretation of the caloric curve based on the expansion of the abraded spectator nucleus is re-analysed in the framework of the Time-Dependent Hartree-Fock (TDHF) evolution. It is shown that the TDHF dynamics is more complex…

Nuclear Theory · Physics 2016-09-08 D. Lacroix , Ph. Chomaz

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 Born-Oppenheimer (BO) approximation is less accurate in the presence of a strong magnetic field than in the absence of a field. This is due to the complicated and unpredictable response of electronic structure to the field, especially…

Chemical Physics · Physics 2023-03-29 Tanner Culpitt , Laurens D. M. Peters , Erik I. Tellgren , Trygve Helgaker

Many application models in quantum physics and chemistry require to control multi-electron systems to achieve a desired target configuration. This challenging task appears possible in the framework of time-dependent density functional…

Optimization and Control · Mathematics 2018-03-14 Martin Sprengel , Gabriele Ciaramella , Alfio Borzì

We introduce a new implementation of time-dependent density-functional theory which allows the \emph{entire} spectrum of a molecule or extended system to be computed with a numerical effort comparable to that of a \emph{single} standard…

Materials Science · Physics 2009-11-13 Dario Rocca , Ralph Gebauer , Yousef Saad , Stefano Baroni

Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…

Materials Science · Physics 2025-10-10 Carsten A. Ullrich

We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implementation of time-dependent density functional theory (TDDFT).…

Condensed Matter · Physics 2007-05-23 Alberto Castro , M. A. L. Marques , Julio A. Alonso , George F. Bertsch , Angel Rubio

The exactly solvable quantum many-particle model with harmonic one- and two-particle interaction terms is extended to include time-dependency. We show that when the external trap potential and finite-range interparticle interaction have a…

Two microscopic theories for multiple resonances in nuclei are compared, n-particle-hole RPA and quantized Time-Dependent Hartree-Fock (TDHF). The Lipkin-Meshkov-Glick model is used as test case. We find that quantized TDHF is superior in…

Nuclear Theory · Physics 2015-06-26 D. Klakow , M. Weber , P. -G. Reinhard

As a universal quantum mechanical approach to the dynamical many-body problem, the time-dependent density functional theory (TDDFT) might be inadequate to describe crucial observables that rely on two-body evolution behavior, like the…

Computational Physics · Physics 2025-11-17 Jiong-Hang Liang , Yunfeng Xiong

While superfluidity is accurately grasped with a state that explicitly breaks the particle number symmetry, a precise description of phenomena like the particle transfer during heavy-ion reactions can only be achieved by considering systems…

Nuclear Theory · Physics 2019-06-26 D. Regnier , D. Lacroix

The nuclear time-dependent Hartree-Fock model formulated in the three-dimensional space,based on the full Skyrme energy density functional and complemented with the tensor force,is presented for the first time. Full self-consistency is…

Nuclear Theory · Physics 2015-03-03 S. Fracasso , E. B. Suckling , P. D. Stevenson

Background: Time-dependent techniques in nuclear theory often rely on mean-field or Hartree-Fock descriptions. Beyond mean-field dynamical calculations within the time-dependent density matrix (TDDM) theory have often invoked symmetry…

Nuclear Theory · Physics 2021-06-09 M. C. Barton , P. D. Stevenson , A. Rios

The self-energy of the Dirac Brueckner-Hartree-Fock calculation in nuclear matter is parametrized by introducing density-dependent coupling constants of isoscalar mesons in the relativistic Hartree-Fock (RHF) approach where isoscalar meson…

Nuclear Theory · Physics 2009-10-28 Hua-lin Shi , Bao-qiu Chen , Zhong-yu Ma
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