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Related papers: Time-dependent localized Hartree-Fock potential

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One of the few exact results for the description of the time-evolution of an inhomogeneous, interacting many-particle system is given by the Harmonic Potential Theorem (HPT). The relevance of this theorem is that it sets a tight constraint…

Nuclear Theory · Physics 2019-09-18 S. Zanoli , X. Roca-Maza , G. Colò , S. Shen

We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…

Quantum Physics · Physics 2015-05-13 Zhongyuan Zhou , Shih-I Chu

We study the asymptotics of the Schr\"odinger equation with time-dependent potential in dimension one. Assuming that the potential decays sufficiently rapidly as $|x| \to \infty$, we prove that the solution can be written as the sum of a…

Analysis of PDEs · Mathematics 2025-12-30 Gavin Stewart , Avy Soffer

Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H$^-$ ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact-exchange…

Materials Science · Physics 2009-11-13 Meta van Faassen , Adam Wasserman , Eberhard Engel , Fan Zhang , Kieron Burke

The time-dependent Hartree-Fock equations are derived from the N-particle Schr\"odinger equation with mean-field scaling in the infinite particle limit, for initial data that are like Slater determinants. Only the case of bounded…

Mathematical Physics · Physics 2015-02-25 Claude Bardos , Francois Golse , Alex D. Gottlieb , Norbert J. Mauser

Given the time-evolution of an electron charge density, the local potential in Kohn-Sham time-dependent density functional theory (KS-TDDFT) can be modeled as a sum of instantaneous and dynamic contributions by assuming a certain form of…

Computational Physics · Physics 2016-11-09 R. J. Magyar

Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique…

Chemical Physics · Physics 2015-06-15 Martin A. Mosquera , Daniel Jensen , Adam Wasserman

The time-dependent Hartree and Hartree-Fock equations provide effective mean-field descriptions for the dynamics of large fermionic systems and play a fundamental role in many areas of physics. In this work, we rigorously derive the…

Mathematical Physics · Physics 2025-07-17 Duc Viet Hoang , David Mitrouskas , Peter Pickl

We analyse a nonlinear Schr\"odinger equation for the time-evolution of the wave function of an electron beam, interacting selfconsistently through a Hartree-Fock nonlinearity and through the repulsive Coulomb interaction of an atomic…

Analysis of PDEs · Mathematics 2012-09-28 Paolo Antonelli , Agisillaos Athanassoulis , Hichem Hajaiej , Peter Markowich

We obtain an exact solution of the time-dependent Schroedinger equation for a two-electron system confined to a plane by an isotropic parabolic potential whose curvature is periodically modulated in time. From this solution we compute the…

Condensed Matter · Physics 2009-10-31 Irene D'Amico , Giovanni Vignale

A many-body wave function is approximated by a product of two functions: the wave function $\phi$ depending on the particle coordinates and the function $\chi$ depending only on the value of interparticle interaction potential. For the…

Quantum Physics · Physics 2008-09-10 V. M. Tapilin

The Schrodinger equation is considered with the first order time derivative changed to a Caputo fractional derivative, the time fractional Schrodinger equation. The resulting Hamiltonian is found to be non-Hermitian and non-local in time.…

Mathematical Physics · Physics 2009-11-10 Mark Naber

A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…

Other Condensed Matter · Physics 2008-04-23 Balazs Hetenyi , Andreas W. Hauser

We prove a global well-posedness result for defocusing nonlinear Schrodinger equations with time dependent potential. We then focus on time dependent harmonic potentials. This aspect is motivated by Physics (Bose--Einstein condensation),…

Analysis of PDEs · Mathematics 2011-09-22 Rémi Carles

After introducing the formalism of the general space and time fractional Schr\"odinger equation, we concentrate on the time fractional Schr\"odinger equation and present new results via the elegant language of Fox's H-functions. We show…

Mathematical Physics · Physics 2013-01-07 Selcuk S. Bayin

We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 V. Turkowski , C. A. Ullrich

A time-dependent current-density-functional theory for many-particle systems in interaction with arbitrary external baths is developed. We prove that, given the initial quantum state $|\Psi_0>$ and the particle-bath interaction operator,…

Mesoscale and Nanoscale Physics · Physics 2007-06-13 Massimiliano Di Ventra , Roberto D'Agosta

This article examines the time-dependent Hartree-Fock (TDHF) approximation of single-particle dynamics in systems of interacting fermions. We find the TDHF approximation to be accurate when there are sufficiently many particles and the…

Mathematical Physics · Physics 2007-05-23 Claude Bardos , Francois Golse , Alex D. Gottlieb , Norbert J. Mauser

The key element in time-dependent density functional theory is the one-to-one correspondence between the one-particle density and the external potential. In most approaches this mapping is transformed into a certain type of Sturm-Liouville…

Mathematical Physics · Physics 2011-08-01 Markus Penz , Michael Ruggenthaler

The exact static and time-dependent Kohn-Sham (KS) exchange-correlation (xc) potential is extremely challenging to approximate as it is a local multiplicative potential that depends on the electron density everywhere in the system. The KS…

Strongly Correlated Electrons · Physics 2021-01-15 M. J. P. Hodgson , J. Wetherell