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Recently introduced time-dependent renormalized-natural orbital theory (TDRNOT) is extended towards a multi-component approach in order to describe H$_2^+$ beyond the Born-Oppenheimer approximation. Two kinds of natural orbitals, describing…

Chemical Physics · Physics 2017-11-21 A. Hanusch , J. Rapp , M. Brics , D. Bauer

Favorably scaling numerical time-dependent many-electron techniques such as time-dependent density functional theory (TDDFT) with adiabatic exchange-correlation potentials typically fail in capturing highly correlated electron dynamics. We…

Atomic Physics · Physics 2013-11-25 M. Brics , D. Bauer

The $N$-particle wavefunction has too many dimensions for a direct time propagation of a many-body system according to the time-dependent Schr\"odinger equation (TDSE). On the other hand, time-dependent density functional theory (TDDFT)…

Computational Physics · Physics 2017-11-21 M. Brics , J. Rapp , D. Bauer

Recently introduced time-dependent renormalized-natural-orbital theory (TDRNOT) is based on the equations of motion for the so-called natural orbitals, i.e., the eigenfunctions of the one-body reduced density matrix. Exact TDRNOT can be…

Atomic Physics · Physics 2016-01-13 M. Brics , J. Rapp , D. Bauer

We present a (1+1)-dimensional quantum model designed to describe nonsequential double ionization (NSDI) in homonuclear diatomic molecules exposed to strong linearly polarized laser fields. Extending the restricted-geometry framework…

Electron-electron correlation effects play an instrumental role in our understanding of sequential (SDI) and non-sequential double ionization (NSDI) mechanisms. Here, we present a theoretical study of NSDI driven by plasmonic-enhanced…

A molecular rotation assisted non-sequential double ionization (MR-NSDI) mechanism is identified in the breakup of rotational H$_2$ molecules in a few-cycle intense laser pulse using a semi-classical trajectory Monte Carlo method. Applying…

Atomic Physics · Physics 2022-05-31 Ahai Chen

We study double ionization of He driven by a near-single-cycle laser pulse at low intensities at 400 nm. Using a three-dimensional semiclassical model, we identify the pathways that prevail non-sequential double ionization (NSDI). We focus…

Atomic Physics · Physics 2020-02-12 Georgios Petros Katsoulis , Agapi Emmanouilidou

We present a reduced-cost implementation of the state-averaged driven similarity renormalization group (SA-DSRG) based on the frozen natural orbital (FNO) approach. The natural orbitals (NOs) are obtained by diagonalizing the one-body…

Chemical Physics · Physics 2023-12-13 Chenyang Li , Shuxian Mao , Renke Huang , Francesco A. Evangelista

At intensities below-the-recollision threshold, we show that re-collision-induced excitation with one electron escaping fast after re-collision and the other electron escaping with a time delay via a Coulomb slingshot motion is one of the…

Atomic Physics · Physics 2020-02-12 G. P. Katsoulis , A. Hadjipittas , B. Bergues , M. F. Kling , A. Emmanouilidou

We investigate differential electron distributions in nonsequential double ionization (NSDI) with linearly polarized, few-cycle pulses, using a classical model based on a laser-assisted inelastic $(e^-,2e^-)$ rescattering mechanism. We show…

Atomic Physics · Physics 2009-11-10 X. Liu , C. Figueira de Morisson Faria

We investigate laser-induced nonsequential double ionization by a polarization-gated laser pulse, constructed employing two counter-rotating circularly polarized few cycle pulses with a time delay $T_{d}$. We address the problem within a…

Atomic Physics · Physics 2015-05-13 W. Quan , X. Liu , C. Figueira de Morisson Faria

We consider the dynamic nuclear spin polarization (DNP) using two electrons in a double quantum dot in presence of external magnetic field and spin-orbit interaction, in various schemes of periodically repeated sweeps through the S-T+…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Izhar Neder , Mark S. Rudner , Bertrand I. Halperin

For the description of nonsequential double ionization (NSDI) of rare-gas atoms by a strong linearly polarized laser field, the quantum-mechanical $S$-matrix diagram that incorporates rescattering impact ionization is evaluated in the…

Atomic Physics · Physics 2007-05-23 C. Figueira de Morisson Faria , X. Liu , H. Schomerus , W. Becker

Nonsequential double ionization (NSDI) of helium in an intense few-cycle laser pulse is investigated by applying the three-dimensional semi-classical re-scattering method. It is found that the momentum distribution of He$^{2+}$ shows a…

Atomic Physics · Physics 2015-05-13 Hongyun Li , J. Chen , Hongbing Jiang , Jie Liu , Panming Fu , Qihuang Gong , Zong-Chao Yan , Bingbing Wang

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

The time-dependent numerical renormalization-group approach (TD-NRG), originally devised for tracking the real-time dynamics of quantum-impurity systems following a single quantum quench, is extended to multiple switching events. This…

Mesoscale and Nanoscale Physics · Physics 2012-06-12 Eitan Eidelstein , Avraham Schiller , Fabian Guettge , Frithjof B. Anders

The pump-probe experiments enabled by X-ray free-electron lasers (XFEL) will allow us to directly observe correlated electronic motion with attosecond time resolution by detecting photoelectron pairs in coincidence. In helium, the…

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…

Atomic Physics · Physics 2014-10-08 J. Rapp , M. Brics , D. Bauer

Partial differential equations (PDEs) are fundamental to modeling complex and nonlinear physical phenomena, but their numerical solution often requires significant computational resources, particularly when a large number of forward full…

Computational Physics · Physics 2025-07-08 Qibang Liu , Seid Koric
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