English
Related papers

Related papers: Accuracy of the time-dependent Hartree-Fock approx…

200 papers

The formalism of the continuum random-phase approximation theory which treats, without ap- proximations, the continuum part of the single-particle spectrum, is extended to describe charge- exchange excitations. Our approach is…

Nuclear Theory · Physics 2016-04-05 V. De Donno , G. Co' , M. Anguiano , A. M. Lallena

A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave…

Strongly Correlated Electrons · Physics 2009-11-13 X. Chen , A. Farhoodfar , T. McIntosh , R. J. Gooding , P. W. Leung

The selection rules of high harmonic generation (HHG) are investigated using three-dimensional time-dependent density functional theory (TDDFT). From the harmonic spectra obtained with various real molecules and different forms of laser…

Atomic Physics · Physics 2016-09-28 Xi Liu , Xiaosong Zhu , Liang Li , Yang Li , Qingbin Zhang , Pengfei Lan , Peixiang Lu

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

We assess a variant of linear-response range-separated time-dependent density-functional theory (TDDFT), combining a long-range Hartree-Fock (HF) exchange kernel with a short-range adiabatic exchange-correlation kernel in the local-density…

Chemical Physics · Physics 2013-05-22 Julien Toulouse , Elisa Rebolini , Tim Gould , John F. Dobson , Prasenjit Seal , János G. Angyán

We study a Hartree ensemble approximation for real-time dynamics in the toy model of 1+1 dimensional scalar field theory. Damping behavior seen in numerical simulations is compared with analytical predictions based on perturbation theory in…

High Energy Physics - Lattice · Physics 2009-10-31 M. Salle , J. Smit , J. C. Vink

Quantum many-body nuclear dynamics is treated at the mean-field level with the time-dependent Hartree-Fock (TDHF) theory. Low-lying and high-lying nuclear vibrations are studied using the linear response theory. The fusion mechanism is also…

Nuclear Theory · Physics 2014-02-05 C. Simenel , M. Dasgupta , D. J. Hinde , A. Kheifets , A. Wakhle

A new alternate method for evaluating linear response theory is formally developed, and results are presented. This method involves the time-evolution of the system using TDHF and is constructed directly on top of a static Hartree-Fock…

Nuclear Theory · Physics 2009-11-11 A. S. Umar , V. E. Oberacker

We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Ramin M. Abolfath , Pawel Hawrylak

Under certain conditions we prove the existence of a steady-state transport regime for interacting mesoscopic systems coupled to reservoirs (leads). The partitioning and partition-free scenarios are treated on an equal footing. Our…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Valeriu Moldoveanu , Horia D. Cornean , Claude-Alain Pillet

In this paper we study the dynamics of fermionic mixed states in the mean-field regime. We consider initial states which are close to quasi-free states and prove that, under suitable assumptions on the inital data and on the many-body…

Mathematical Physics · Physics 2015-02-12 Niels Benedikter , Vojkan Jaksic , Marcello Porta , Chiara Saffirio , Benjamin Schlein

We present a study of fusion cross sections using a new generation Time-Dependent Hartree-Fock (TDHF) code which contains no approximations regarding collision geometry and uses the full Skyrme interaction, including all of the time-odd…

Nuclear Theory · Physics 2009-11-11 A. S. Umar , V. E. Oberacker

Real-Time Time-Dependent Density Functional Theory (TDDFT) has become an attractive tool to model quantum dynamics on a first-principles Density Functional Theory level. In recent years, several developments and applications in this field…

Computational Physics · Physics 2020-08-21 Joscha Hekele , Peter Kratzer

The adiabatic approximation in time-dependent density functional theory (TDDFT) is known to give an incorrect pole structure in the quadratic response function, leading to unphysical divergences in excited state-to-state transition…

Chemical Physics · Physics 2023-05-01 Davood Dar , Saswata Roy , Neepa T. Maitra

The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinants, but with the significant distinction that the…

Quantum Gases · Physics 2025-03-03 B. R. Que , J. M. Zhang , H. F. Song , Y. Liu

We consider N fermions in a two-dimensional harmonic oscillator potential interacting with a very short-range repulsive pair-wise potential. The ground-state energy of this system is obtained by performing a Thomas-Fermi as well as a…

Condensed Matter · Physics 2007-05-23 M. K. Srivastava , R. K. Bhaduri , J. Law , M. V. N. Murthy

Time-dependent density-functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework,…

Materials Science · Physics 2014-01-29 Carsten A. Ullrich , Zeng-hui Yang

We have developed a time propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Adrian Stan , Nils Erik Dahlen , Robert van Leeuwen

A simple approximate solution to the linear response equations of time-dependent density functional theory (TDDFT) is given. This extends the single-pole approximation (SPA) to two strongly-coupled poles. The analysis provides both an…

Materials Science · Physics 2009-11-11 H. Appel , E. K. U. Gross , K. Burke

The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…

Nuclear Theory · Physics 2009-09-11 Calvin W. Johnson , Ionel Stetcu