相关论文: Calculation of IR absorption intensities for hydro…
Despite the vastly different angular scales on which they are measured, the integrated $\lambda$21 cm \HI\ optical depth measured interferometrically, \WHI, is a good proxy for the optical reddening derived from IR dust emission, with…
The absorption of infrared and visible radiation from stellar emission spectra by the negatively charged hydrogen ions H$^{-}$ is considered. We derive the explicit formulas for the bound-free absorption coefficient $a_{\nu}$ for the…
We transform the Schr\"odinger wave equation to a nine-parameter Heun-type differential equation. Using our solutions of the latter in [J. Math. Phys. 59 (2018) 113507], we are able to identify the associated potential function, energy…
The isotope effects in x-ray absorption spectra of liquid water are studied by a many-body approach within electron-hole excitation theory. The molecular structures of both light and heavy water are modeled by path-integral molecular…
The Weiner's theory (WT) is developed on the basis of the exactly solvable Schr\"odinger equation with trigonometric double-well potential (TDWP). The symmetric case of TDWP is considered. This modified version of WT (mWT) enables one to…
The absolute cross sections for the production of X2+ and X3+ ions following absorption of monochromatized SOLEIL synchrotron radiation by the HX+ hydride molecular ions (X = S,Cl) are presented as a function of photon energy in the region…
We report a solution of the one-dimensional Schrodinger equation with a hyperbolic double-well confining potential via a transformation to the so-called confluent Heun equation. We discuss the requirements on the parameters of the system in…
The infrared absorption spectrum of the protonated water dimer (H5O2+) is simulated in full dimensionality (15D) in the spectral range 0-4000 cm-1. The calculations are performed using the Multiconfiguration Time-Dependent Hartree (MCTDH)…
We present a conditionally integrable potential, belonging to the bi-confluent Heun class, for which the Schr\"odinger equation is solved in terms of the confluent hypergeometric functions. The potential involves an attractive inverse…
In this work, we present analytical solutions of Schr\"odinger equation for Coulomb potential in presence of a Dunkl reflection operator. Expressions are offered for eigenvalues, eigenfunctions and radial densities for H-isoelectronic…
Extensive calculations of the atomic data required for the spectral modelling of the K-shell photoabsorption of oxygen ions have been carried out in a multi-code approach. The present level energies and wavelengths for the highly ionized…
Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces. We employ density-functional theory, together with a pseudopotential for Si, and…
Baryons containing two heavy quarks are treated in the Born-Oppenheimer approximation. Schr\"odinger equation for two center Coulomb plus harmonic oscillator potential is solved by the method of ethalon equation at large intercenter…
The process of nonsequential two-photon double ionization of helium is studied by two complementary numerical approaches. First, the time-dependent Schr{\"o}dinger equation is solved and the final wave function is analyzed in terms of…
We present analytical solutions of the Schrodinger equation for the one-dimensional hydrogen molecular ion. In particular, we present closed form expressions for the electronic energy curves of this system that correspond to the ground…
An accurate ab initio theory of the H-bond structure of liquid water requires a high-level exchange correlation approximation from density functional theory. Based on the liquid structures modeled by ab initio molecular dynamics by using…
Based on the results of exact consideration of electron-ion Coulomb interaction, by numerical simulations for ultimate absorption coefficient, we study the practically more interesting case of absorption of hard x-ray quanta of frequency…
The supersymmetric approach in the form of second order intertwining relations is used to prove the exact solvability of two-dimensional Schrodinger equation with generalized two-dimensional Morse potential for $a_0=-1/2$. This…
Fully numerical mesh solutions of 2D and 3D 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…
A complete set of all optical phonon modes predicted by symmetry for bixbyite structure indium oxide is reported here from a combination of far-infrared and infrared spectroscopic ellipsometry, as well as first principle calculations.…