Related papers: Above-threshold ionization (ATI) in multicenter mo…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
Three-dimensional reconstruction of atomic structure, known as atomic electron tomography (AET), has found increasing applications in materials science. The AET has been limited to very small nanoparticles due to the challenges of obtaining…
A theory describing above-threshold ionization of atoms and ions in a strong electromagnetic field is presented. It is based on the widely known strong field approximation and incorporates the Coulomb interaction between the photoelectron…
We calculate angle-resolved above-threshold ionization spectra for diatomic molecules in linearly polarized laser fields, employing the strong-field approximation. The interference structure resulting from the individual contributions of…
Photoionization of an atom $A$, in the presence of a neighboring atom $B$, can proceed via resonant excitation of $B$ with subsequent energy transfer to $A$ through two-center electron-electron correlation. We demonstrate that this…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the operators heavily concentrated in atomic cores is proposed. Among…
Polyatomic molecular ions contain many desirable attributes of a useful quantum system, including rich internal degrees of freedom and highly controllable coupling to the environment. To date, the vast majority of state-specific…
Rabi frequencies for multiphoton absorption by atoms or molecules that can be characterized as two- or three-level systems are obtained in the cases of single and double laser perturbations. If the ambiguity in the origin of absolute energy…
We analyze two-particle binding factors of H2, LiH, and HeH+ molecules/ions with the help of our original exact diagonalization ab intio (EDABI) approach. The interelectronic correlations are taken into account rigorously within the second…
We show that a family of key periodic orbits drive the recollision process in a strong circulary polarized laser field. These orbits, coined recolliding periodic orbits, exist for a wide range of parameters and their relative influence…
Based on the frequency-domain theory, we put forward a method of imaging the complex symmetrical polyatomic molecules by using IR+XUV two-color laser fields. Although the wave function of a polyatomic molecule, such as SF6, is quite complex…
Resonance-enhanced multiphoton ionization (REMPI) in potassium atom is investigated within the strong coupling regime using photoelectron momentum imaging techniques. The kinetic energy distribution of the ionized electrons reveals the…
We investigate the resonant process of nuclear excitation by electron capture, in which a continuum electron is captured into a bound state of an ion with the simultaneous excitation of the nucleus. In order to derive the cross section a…
Recollision processes provide direct insight into the structure and dynamics of electronic wave functions. However, the strength of the process sets its basic limitations - the interaction couples numerous degrees of freedom. In this Letter…
Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…
Light-matter entanglement plays a fundamental role in many applications of quantum information science. Thus, finding processes where it can be observed is an important task. Here, we address this matter by theoretically investigating the…
A theory for the many-electron multi-photon process is presented. It is shown that after single-electron excitation into some level in the continuum (ATI) an inelastic collision of the excited electron with the parent atomic particle can…
Constructing atom-resolved states from low-resolution data is of practical importance in many areas of science and engineering. This problem is addressed in this paper in the context of multiscale factorization methods for molecular…
Exascale computing holds great opportunities for molecular dynamics (MD) simulations. However, to take full advantage of the new possibilities, we must learn how to focus computational power on the discovery of complex molecular mechanisms,…