相关论文: Dynamic core polarization in strong-field ionizati…
We investigate the behavior of disordered interacting electrons in the insulating regime. Our study is based on the quantum Coulomb glass model which is obtained from the classical Coulomb glass by adding hopping matrix elements between…
The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction…
We study strong-field double ionization in a three-electron atom by applying a simplified, reduced-dimensionality model with three active electrons. The influence of the spin-induced symmetry of the spatial part of the wavefunction on the…
The spin polarization of photoelectrons induced by an intense linearly polarized laser field is investigated using numerical solutions of the time-dependent Schr\"odinger equation in companion with our analytic treatment via the…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
Attosecond dynamics in strong-field tunnel ionization are encoded in intricate holographic patterns in the photoelectron momentum distributions (PMDs). These patterns show the interference between two or more superposed quantum electron…
The present work explores quantitative limits to the Single-Active Electron (SAE) approximation, often used to deal with strong-field ionization and subsequent attosecond dynamics. Using a time-dependent multi\-configuration approach,…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
The laser-induced fragmentation dynamics of this most fundamental polar molecule HeH$^+$ are measured using an ion beam of helium hydride and an isotopologue at various wavelengths and intensities. In contrast to the prevailing…
Using a three-dimensional quasiclassical technique we explore molecular double ionization by a linearly polarized, infrared (800~nm) 27~fs laser pulse. For intensities ranging from the tunneling to the over-the-barrier regime, we identify…
Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes in optical cavities. Despite…
We investigate the photoionization dynamics of atoms subjected to intense, ultrashort laser pulses through the use of quantum trajectories. This method provides a unique and consistent framework for examining electron dynamics within a…
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…
We investigate the interwoven dynamic evolutions of neutral nitrogen molecules together with nitrogen ions created through transient tunnel ionization in an intense laser field. By treating the molecules as open quantum systems, it is found…
We present a novel energy-based localization procedure able to localize molecular orbitals into specific spatial regions. The method is applied to several cases including both conjugated and non-conjugated systems. The obtained localized…
Molecular polaritons have become an emerging platform for remotely controlling molecular properties through strong light-matter interactions. Herein, a semiclassical approach is developed for describing molecular polaritons by…
We investigate the one-body dissipation dynamics in heavy-ion collisions of $^{16}{\rm O}$+$^{16}{\rm O}$ using a fully three-dimensional time-dependent Hartree-Fock (TDHF) theory with the modern Skyrme energy functional and without any…
Based on a combined quantum-classical treatment, a complete study of the strong field dynamics of H2+, i.e. including all nuclear and electronic DOF as well as dissociation and ionization, is presented. We find that the ro-vibrational…
Strongly correlated physics arises from electron-electron scattering within partially filled orbitals. Organic molecules in open-shell configurations are therefore good candidates to exhibit many-body effects. We focus on electron transport…
Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…