Related papers: Complex-scaled ab initio QED approach to autoioniz…
Recent experiments on the laser-induced resonant annihilation provide a precise measurement of transition energies of antiprotonic helium atoms. Relativistic corrections of an order of $\alpha ^2$ to the pure Coulomb interaction will be…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…
QED corrections to the $g$ factor of Li-like and B-like ions in a wide range of nuclear charges are presented. Many-electron contributions as well as radiative effects on the one-loop level are calculated. Contributions resulting from the…
We present a numerical method for investigating the non-perturbative quantum mechanical interaction of light with atoms in two dimensions, without a basis expansion. This enables us to investigate intense laser-atom interactions with light…
The independent atom and electron model [1] is introduced in a quantum context and associated approximations tentatively estimated. Confrontation of the model to measured ionization and excitation cross sections of small ionic carbon…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
Here we present a quantum electrodynamics (QED) model involving a large-detuned single-mode cavity field and $n$ identical two-level atoms. One of its applications for the preparation of the multi-particle states is analyzed. In addition to…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
As a step toward the full \emph{ab-initio} description of two-photon double ionization processes, we present a finite-pulse version of the virtual-sequential model for polyelectronic atoms. The model relies on the \emph{ab initio}…
We present an approach to electronic polarization in molecular solids treated as a set of quantum systems interacting classically. Individual molecules are dealt with rigorously as quantum-mechanical systems subject to classical external…
Selective field ionization is used to determine the state or distribution of states to which a Rydberg atom is excited. By evolving a small perturbation to the ramped electric field using a genetic algorithm, the shape of the time-resolved…
We study the QED bound-state problem in a light-front hamiltonian approach. Starting with a bare cutoff QED Hamiltonian, $H_{_{B}}$, with matrix elements between free states of drastically different energies removed, we perform a similarity…
State-average calculations based on mixture of states are increasingly being exploited across chemistry and physics as versatile procedures for addressing excitations of quantum many-body systems. If not too many states should need to be…
Cavity quantum electrodynamics (QED) studies the interaction between a quantum emitter and a single radiation-field mode. When an atom is in strong coupling with a cavity mode1,2, it is possible to realize key quantum information processing…
This work is a collection of initial calculations and formal considerations within the Salpeter-Sucher exact equal-time relativistic quantum electrodynamics framework. The calculations are carried out as preparation for the computation of…
We discuss the possibility of non-exponential tunneling ionization of atoms irradiated by intense laser field. This effect can occur at times, which are greater than the lifetime of a system under consideration. The mechanism for…
A model describing the electronic transitions in an atom subject to a strong high frequency laser pulse is proposed in the velocity gauge. The model accounts for the initial state coupling with the the remaining discrete and continuum…
In this paper we develop a unified framework to study the coherent control of trapped ions subject to state-dependent forces. Taking different limits in our theory, we can reproduce two different designs of a two-qubit quantum gate --the…
We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is…
Joint electron-ion energy spectra for the dissociative ionization of a model H$_2^+$ in few-cycle, infrared laser pulses are calculated via the numerical ab initio solution of the time-dependent Schr\"odinger equation. A strong,…