Related papers: Calculating the hydrogen molecule ion using the tw…
An exploratory study of two-particle wave function is carried out with a four dimensional simple model. The wave functions not only for two-particle ground and first excited states but also for an unstable state are calculated from three-…
New approach to highly accurate calculations of the photodetachment cross-sections of the negatively charged hydrogen ions is developed. This effective, fast and numerically stable method is based on the use of the Rayleigh's formula for…
We perform numerical simulations for photoionization of the argon atom when exposed to a combined field of an infrared laser (abbreviated IR) and its 13th harmonic (H13) by solving the Time-Dependent Schr\"odinger Equation (TDSE)], noting…
Intense-field ionization of the hydrogen molecular ion by linearly-polarized light is modelled by direct solution of the fixed-nuclei time-dependent Schr\"odinger equation and compared with recent experiments. Parallel transitions are…
We present accurate time-dependent ab initio calculations on fully differential and total integrated (generalized) cross sections for the nonsequential two-photon double ionization of helium at photon energies from 40 to 54 eV. Our…
Mapping equations of motion of the highly exited classical atom in a monochromatic field are generalized for the two-frequency microwave field. Analysis of the obtained equations indicates to the weak sensitivity of the position of the…
We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuum wave function is obtained in a numerically efficient way…
The electric dipole polarizabilities of $^3$H, $^3$He, and $^4$He are calculated directly using the Schr\"odinger equation with the latest generation of two- and three-nucleon interactions. These polarizabilities are necessary in order to…
A theoretical scheme for the analysis of experimental data on IR spectroscopy for a quantum particle in a double well potential (DWP) is suggested. The analysis is based on the trigonometric DWP for which the exact analytic solution of the…
The two-dimensional hydrogen-like atom in a constant magnetic field is considered. It is found that this is actually two separate problems. One for which the magnetic field causes an effective attraction between the nucleus and the electron…
The paper compares the methods used to calculate matrix elements of the operator of radail electron coordinates in an arbitrary order in the Foldy-Wouthuysen representation and with the use of the Dirac equation for 1s-states of the…
It is considered the Dirac equation with two different four-potentials of the plane electromagnetic waves. We derive the equation for the wave function which is generalized form of the Volkov equation. We find the solutions of the Dirac…
We study the three-body Coulomb problem in two dimensions and show how to calculate very accurately its quantum properties. The use of a convenient set of coordinates makes it possible to write the Schr\"{o}dinger equation only using…
We have implemented the paraxial approximation followed by the time-dependent Hartree-Fock method with frozen core for the single impact ionization of atoms and two-atomic molecules. It reduces the original scattering problem to the…
The O(4) supersymmetry of the hydrogen atom is utilized to construct a complete basis using only the bound state wave functions. For a large class of perturbations, an expansion of the electron (exciton) wave function into such a complete…
The time-dependent quantum system of two laser-driven electrons in a harmonic oscillator potential is analysed, taking into account the repulsive Coulomb interaction between both particles. The Schrodinger equation of the two-particle…
We present a new computational method for the determination of energy levels in four-particle systems like H$_2$, HD, and HeH$^+$ using explicitly correlated exponential basis functions and analytic integration formulas. In solving the…
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schr\"odinger equation is mapped onto a…
The direct solution of the many-particle Schr\"odinger equation is computationally inaccessible for more than very few electrons. In order to surpass this limitation, one of the authors [X. Oriols, Phys. Rev. Lett. 2007, 98 (066803)] has…
[New and updated results were published in Nature Chemistry, doi:10.1038/s41557-020-0544-y.] The electronic Schr\"odinger equation describes fundamental properties of molecules and materials, but can only be solved analytically for the…