Related papers: Time-dependent localized Hartree-Fock potential
We establish both a local and a global well-posedness theories for the nonlinear Hartree-Fock equations and its reduced analog in the setting of the modulation spaces on $\mathbb R^d$. In addition, we prove similar results when a harmonic…
We present a spin-dependent localized Hartree-Fock (SLHF) density-functional approach for the treatment of the inner-shell excited-state calculation of atomic systems. In this approach, the electron spin-orbitals in an electronic…
We propose a computationally efficient approach to the nonadiabatic time-dependent density functional theory (TDDFT) which is based on a representation of the frequency-dependent exchange correlation kernel as a response of a set of damped…
We introduce a framework for resolving electron-hole dynamics within wavefunction-based multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory. Central to this framework is a time-domain generalization of the extended Koopmans'…
This paper is about the fractional Schr\"{o}dinger equation (FSE) expressed in terms of the quantum Riesz-Feller space fractional and the Caputo time fractional derivatives. The main focus is on the case of time independent potential fields…
We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead, in time-dependent density functional theory. Based on this system, we develop a…
Time-dependent density-functional theory (TDDFT) is a central tool for studying the dynamical electronic structure of molecules and solids, yet aspects of its mathematical foundations remain insufficiently understood. In this work, we…
We rigorously study the long time dynamics of solitary wave solutions of the nonlinear Schr\"odinger equation in {\it time-dependent} external potentials. To set the stage, we first establish the well-posedness of the Cauchy problem for a…
We investigate the existence and properties of effective potentials in time-dependent density functional theory. We outline conditions for a general solution of the corresponding Sturm-Liouville boundary value problems. We define the set of…
We investigate scattering, localization and dispersive time-decay properties for the one-dimensional Schr\"odinger equation with a rapidly oscillating and spatially localized potential, $q_\epsilon=q(x,x/\epsilon)$, where $q(x,y)$ is…
We analyze the solutions of the Schr\"odinger equation with the low frequency initial data and a time-dependent weakly random potential. We prove a homogenization result for the low frequency component of the wave field. We also show that…
Due to the strongly nonlocal nature of $f_{xc}({\bf r},{\bf r}',\omega)$ the {\em scalar} exchange and correlation (xc) kernel of the time-dependent density-functional theory (TDDFT), the formula for Q the friction coefficient of an…
We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the…
This article generalizes the notion of the local density of a many-body system to introduce collective coordinates as explicit degrees of freedom. It is shown that the energy of the system can be expressed as a functional of this object.…
The spin-dependent localized Hartree-Fock (SLHF) density-functional approach is extended to the treatment of the inner-shell excited-state calculation of open-shell atomic systems. In this approach, the electron spin-orbitals in an…
We investigate the solutions for a time dependent potential by considering two scenarios for the fractional Schr\"odinger equation. The first scenario analyzes the influence of the time dependent potential in the absence of the kinetic…
We introduce the concept of self-energy dispersion as an error bound on local theories and apply it to the two-dimensional Hubbard model on the square lattice at half-filling. Since the self-energy has no single-particle analog and is not…
We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…
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…
It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to…