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We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…

Materials Science · Physics 2007-10-04 P. Bokes , J. Jung , R. W. Godby

The dynamics of molecular electron excitation and ionisation is studied in real-time for ultra-short IR laser pulses of intensity I>10^{13} W/cm^{2}. The multi-electron molecule is modeled by a system of two active electrons moving in a…

Optics · Physics 2015-06-26 A. I. Pegarkov

Time-dependent (TD) density functional theory (TDDFT) promises a numerically tractable account of many-body electron dynamics provided good simple approximations are developed for the exchange-correlation (XC) potential functional (XCPF).…

Other Condensed Matter · Physics 2008-08-29 Roi Baer

When atoms or molecules are exposed to strong short-pulse infrared radiation, ionization as well as "frustrated tunneling ionization" (FTI) can occur, in which a portion of the almost ionized electrons recombine into the initial ground or…

We scrutinize the behavior of eigenvalues of an electron of Helium atom as it interacts with electric field directed along $z$-axis and exposed to linearly polarized intense laser field radiation. In order to achieve this, we freeze one…

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…

Materials Science · Physics 2007-05-23 Kieron Burke , Martin Petersilka , E. K. U. Gross

We demonstrate the capabilities of time-dependent density functional theory (TDDFT) for strong-field, short wavelength (soft X-ray) physics, as compared to a formalism based on rate equations. We find that TDDFT provides a very good…

We present a detailed study of the ionisation probability of H and H$_{2}^{+}$ induced by a short intense laser pulse. Starting from a Coulomb-Volkov description of the process we derive a multipole-like expansion where each term is…

Atomic Physics · Physics 2013-07-11 Renata Della Picca , Juan Fiol , Pablo Daniel Fainstein

Two-color laser fields offer significantly enhanced control over electron excitation dynamics under ultrashort intense laser pulses compared to monochromatic fields. However, their strong nonlinearity necessitates computationally expensive…

Optics · Physics 2025-07-03 Mizuki Tani , Kenichi L. Ishikawa , Tomohito Otobe

Modern laser systems are able to generate short and intense laser pulses ionizing matter in the poorly explored barrier-suppression regime. Field ionization in this regime is studied analytically and numerically. For analytical studies,…

Atomic Physics · Physics 2018-11-15 I. Yu. Kostyukov , A. A. Golovanov

Owing to its numerical simplicity, a two-dimensional two-electron model atom, with each electron moving in one direction, is an ideal system to study non-perturbatively a fully correlated atom exposed to a laser field. Frequently made…

Atomic Physics · Physics 2009-10-30 D. Bauer

We present a semi-analytical free-energy model aimed at characterizing the thermodynamic properties of dense fluid helium, from the low-density atomic phase to the high-density fully ionized regime. The model is based on a free-energy…

Plasma Physics · Physics 2008-12-18 Christophe Winisdoerffer , Gilles Chabrier

A new quantum dynamical model has been developed to describe the dissociative ionization of deuterium molecular ions by intense laser pulses ($\tau=10$ fs, $\lambda=200$ nm and $I=3\times10^{13}$ W/cm$^{2}$). We calculated the ionization…

Atomic and Molecular Clusters · Physics 2017-02-08 Attila Tóth , Sándor Borbély , Zsolt G. Kiss , Gábor J. Halász , Ágnes Vibók

The ionization of a hydrogen-like heavy ion by impact of a charged projectile under simultaneous irradiation by a short laser pulse is investigated within the non-perturbative approach, based on numerical solutions of the time-dependent…

Atomic Physics · Physics 2023-06-14 O. Novak , R. Kholodov , A. N. Artemyev , A. Surzhykov , Th. Stoehlker

The correlation energy in density functional theory can be expressed exactly in terms of the change in the probability of finding two electrons at a given distance $r_{12}$ (intracule density) when the electron-electron interaction is…

Other Condensed Matter · Physics 2017-08-23 Paola Gori-Giorgi , Michael Seidl , Andreas Savin

A three-dimensional semiclassical model is used to study double ionization of Ar when driven by a near-infrared and near-single-cycle laser pulse for intensities ranging from 0.85$\times$10$^{14}$ W/cm$^{2}$ to 5$\times$10$^{14}$…

Atomic Physics · Physics 2017-02-15 A. Chen , M. Kübel , B. Bergues , M. F. Kling , A. Emmanouilidou

We present a novel ab-initio single-electron approach to correlated electron dynamics in strong laser fields. By writing the electronic wavefunction as a product of a marginal one-electron wavefunction and a conditional wavefunction, we…

Atomic Physics · Physics 2016-02-02 Axel Schild , E. K. U. Gross

We study the asymptotic behavior of the wave function in a simple one dimensional model of ionization by pulses, in which the time-dependent potential is of the form $V(x,t)=-2\delta(x)(1-e^{-\lambda t} \cos\omega t)$, where $\delta$ is the…

Mathematical Physics · Physics 2015-05-13 O. Costin , M. Huang , Z. Qiu

An extremely easy method for accurately calculating the adiabatic connection of density functional theory is presented, and its accuracy tested on both Hooke's atom and the He atom. The method is easy because calculations are needed only…

Materials Science · Physics 2009-10-31 Derek Frydel , William H. Terilla , Kieron Burke

Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…

Chemical Physics · Physics 2018-10-03 Yasumitsu Suzuki , Satoshi Hagiwara , Kazuyuki Watanabe