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The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…

Computational Physics · Physics 2015-05-27 Daniel J. Haxton , Keith V. Lawler , C. William McCurdy

In this paper we motivate, formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems under Coulomb interaction. They consist in approximating the N-particle Schrodinger wavefunction…

Mathematical Physics · Physics 2015-05-13 C. Bardos , I. Catto , N. Mauser , S. Trabelsi

We present the time-dependent restricted-active-space self-consistent field (TD-RASSCF) theory as a new framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock…

Atomic Physics · Physics 2014-05-22 Haruhide Miyagi , Lars Bojer Madsen

Large biomolecular systems, whose function may involve thousands of atoms, cannot easily be addressed with parameter-free density functional theory (DFT) calculations. Until recently a central problem was that such systems possess an…

Materials Science · Physics 2026-01-29 Kristian Berland , Elisa Londero , Elsebeth Schroder , Per Hyldgaard

This contribution reviews the present status of the Skyrme-Hartree-Fock (SHF) approach as one of the leading self-consistent mean-field models in the physics of atomic nuclei. It starts with a brief summary of the formalism and strategy for…

Nuclear Theory · Physics 2016-01-26 P. -G. Reinhard

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

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

Classical mechanics and Time Dependent Hartree-Fock (TDHF) calculations of heavy ions collisions are performed to study the rotation of a deformed nucleus in the Coulomb field of its partner. This reorientation is shown to be independent on…

Nuclear Theory · Physics 2009-11-10 Cedric Simenel , Philippe Chomaz , Gilles De France

Consider a complex energy $z$ for a $N$-particle Hamiltonian $H$ and let $\chi$ be any wave packet accounting for any channel flux. The time independent mean field (TIMF) approximation of the inhomogeneous, linear equation…

Mathematical Physics · Physics 2009-11-11 B. G. Giraud , A. Weiguny

The mass distributions for giant dipole resonances in 32S and 132Sn decaying through particle emission and for deep-inelastic collisions between 16O nuclei have been investigated by implementing the Balian-Veneroni variational technique…

Nuclear Theory · Physics 2009-11-13 J. M. A. Broomfield , P. D. Stevenson

A variant of the basic Skyrme-Hartree-Fock (SHF) functional is considered dealing with a new form of density dependence. It employs only integer powers and thus will allow a more sound basis for projection schemes (particle number, angular…

Nuclear Theory · Physics 2010-10-27 J. Erler , P. Klüpfel , P. -G. Reinhard

We derive a system of coupled partial differential equations for the equal-time Wigner function in an arbitrary strong electromagnetic field using the Dirac-Heisenberg-Wigner formalism. In the electrostatic limit, we present a 3+1-system of…

Plasma Physics · Physics 2021-07-21 Haidar Al-Naseri , Jens Zamanian , Gert Brodin

The nuclear mean-field model based on Skyrme forces or related density functionals has found wide-spread application to the description of nuclear ground states, collective vibrational excitations, and heavy-ion collisions. The code Sky3D…

Nuclear Theory · Physics 2015-06-17 J. A. Maruhn , P. -G. Reinhard , P. D. Stevenson , A. S. Umar

Schwinger pair production in spatially and temporally inhomogeneous electric and magnetic fields is studied. The focus is on the particle phase-space distribution within a high-intensity few-cycle pulse. Accurate numerical solutions of a…

Quantum Physics · Physics 2018-06-26 Christian Kohlfürst

A method for the calculation of the damping rate due to electron-hole pair excitation for atomic and molecular motion at metal surfaces is presented. The theoretical basis is provided by Time Dependent Density Functional Theory (TDDFT) in…

Computational Physics · Physics 2015-05-14 J. R. Trail , M. C. Graham , D. M. Bird

The equilibration of macroscopic degrees of freedom during the fusion of heavy nuclei, like the charge and the shape, are studied in the Time-Dependent Hartree-Fock theory. The pre-equilibrium Giant Dipole Resonance (GDR) is used to probe…

Nuclear Theory · Physics 2008-11-26 Cédric Simenel , Philippe Chomaz , Gilles De France

Background: Near-barrier fusion can be strongly affected by the coupling between relative motion and internal degrees of freedom of the collision partners. The time-dependent Hartree-Fock (TDHF) theory and the coupled-channels (CC) method…

Nuclear Theory · Physics 2013-12-09 C. Simenel , M. Dasgupta , D. J. Hinde , E. Williams

By simulating the real-time multielectron wavefunction with the multi-configurational time-dependent Hartree-Fock (MCTDHF) approach, we conduct an \textit{ab initio} study of the single-photon ionization process of a body-fixed water…

Atomic Physics · Physics 2026-01-14 Zhao-Han Zhang , Yang Li , Himadri Pathak , Takeshi Sato , Kenichi L. Ishikawa , Feng He

We study time evolution of Wigner function of an initially interacting one-dimensional quantum gas following the switch-off of the interactions. For the scenario where at $t=0$ the interactions are suddenly suppressed, we derive a…

Quantum Gases · Physics 2020-07-15 Kamel Bencheikh , Luis M. Nieto

The description of fission remains a challenge for nuclear microscopic theories. The time-dependent Hartree-Fock approach with BCS pairing is applied to study the last stage of the fission process. A good agreement is found for the one-body…

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