Related papers: Exact exchange-correlation potential for a time-de…
We consider the two dimensional Schr\"odinger equation with time dependent delta potential, which represents a model for the dynamics of a quantum particle subject to a point interaction whose strength varies in time. First, we prove global…
A general treatment of the quantal time-dependent coupled oscillators in presence of the variable magnetic field is presented. The treatment is based on the use of an alternative canonical transformations, time-dependent unitary…
Vignale and Kohn have recently formulated a local density approximation to the time-dependent linear response of an inhomogeneous electron system in terms of a vector potential for exchange and correlation. The vector potential depends on…
The so-called Born-Huang ansatz is a fundamental tool in the context of ab-initio molecular dynamics, viz., it allows to effectively separate fast and slow degrees of freedom and thus treating electrons and nuclei at different mathematical…
A closed expression for the harmonic oscillator wave function after the passage of a linear signal with arbitrary time dependence is derived. Transition probabilities are simple to express in terms of Laguerre polynomials. Spontaneous…
We present the construction of an exponentially accurate time-dependent Born-Oppenheimer approximation for molecular quantum mechanics. We study molecular systems whose electron masses are held fixed and whose nuclear masses are…
We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…
We develop a method that can constrain any local exchange-correlation potential to preserve ba-sic exact conditions. Using the method of Lagrange multipliers, we calculate for each set of given Kohn-Sham orbitals, a constraint-preserving…
Diffusion of electrons in a two-dimensional system with time-dependent random potentials is investigated numerically. In the absence of spin-orbit scattering, the conductivity shows universal weak localization correction. In the presence of…
We simulate the time-dependent coherent dynamics of a spatially indirect exciton (an electron-hole pair with the two particles confined in different layers) in a GaAs coupled quantum well system. We use a unitary wave-packet propagation…
We derive solutions of the Schr\"{o}dinger equation for the isotropic van der Waals interaction in a symmetric harmonic trap, with the recent approach [arXiv:2207.09377 (2022)] to handle the multi-scale long-range potential. Asymptotic…
Natural orbital theory is a computationally useful approach to the few and many-body quantum problem. While natural orbitals are known and applied since many years in electronic structure applications, their potential for time-dependent…
For a three-electron system with finite-strength interactions confined to a one-dimensional harmonic trap, we solve the Schroedinger equation analytically to obtain the exact solutions, from which we construct explicitly the simultaneous…
This work investigates the motion of a non-relativistic charged particle within the spacetime of a global monopole. We introduce the Schr\"odinger equation to describe the particle's motion with two interactions by considering the Kratzer…
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent…
X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons creating core (inner-shell) holes that will decay on the time scale of attoseconds to few femtoseconds through…
A review of the approximations in any time-dependent density functional calculation of excitation energies is given. The single-pole approximation for the susceptibility is used to understand errors in popular approximations for the…
A new energy-based stochastic extension of the Schrodinger equation for which the wave function collapses after the passage of a finite amount of time is proposed. An exact closed-form solution to the dynamical equation, valid for all…
The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schr\"{o}dinger equation with proper boundary conditions. The traditional "exchange" term follows from the boundary condition…
The behavior of the surface barrier that forms at the metal-vacuum interface is important for several fields of surface science. Within the Density Functional Theory framework, this surface barrier has two non-trivial components: exchange…