相关论文: Calculation of IR absorption intensities for hydro…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
A new modeling way of describing the continuous absorption of electromagnetic (EM) radiation in dense partially ionized hydrogen plasma is tested in this work. It is shown that the obtained results give a possibility of calculating spectral…
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…
The time-dependent Schr\"{o}dinger equation for the hydrogen atom and its interaction with coherent intense high-frequency short laser pulses is solved numerically exactly by propagating the single-electron wave packets. Thereby, the…
Hydrogen bond is often assumed to be a purely electrostatic interaction between a electron-deficient hydrogen atom and a region of high electron density. Here, for the first time, we directly image hydrogen bond in real space by…
The applicability of the density functional based tight binding (DFTB) method to the description of hydrogen bond dynamics and infrared spectroscopy is addressed for the exemplary protic ionic liquid triethylammonium nitrate. Potential…
In this article, we prove that the equation of the Schr\"odinger maps from ${\bf R}^2$ to the hyperbolic 2-space ${\bf H}^2$ is SU(1,1)-gauge equivalent to the following 1+2 dimensional nonlinear Schr\"odinger-type system of unknown three…
We study the one-dimensional Schr\"odinger equation and derive exact expressions for the Green function in terms of reflection coefficients which are defined for semi-infinite intervals. We also discuss the relation between our results and…
Exact solution of Schrodinger equation for the pseudoharmonic potential is obtained for an arbitrary angular momentum. The energy eigenvalues and corresponding eigenfunctions are calculated by Nikiforov-Uvarov method. Wavefunctions are…
We compute the radiative ro-vibrational emission spectrum of H2 involving quasibound states via a simple numerical method of resolution of the Schr\"odinger equation by introducing a modifed effective molecular potential. The comparison of…
Using the Ogata-Shiba wave function, the spectral functions of the one-dimensional infinite U Hubbard model are calculated for various concentrations. It is shown that the ``shadow band'' feature due to 2k_F fluctuations becomes more…
The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the small effects of temperature change in the liquid, are quantitatively reproduced…
We study one-particle spectra and a two-particle correlation function in the 130 GeV/nucleon Au+Au collisions at RHIC by making use of a hydrodynamical model. We calculate the one-particle hadronic spectra and present the first analysis of…
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…
We report a numerical calculation of the two-photon absorption coefficient of electrons in a binding potential using the real-time real-space higher-order difference method. By introducing random vector averaging for the intermediate state,…
In this note, we compute the Hadamard coefficients of (algebraically) integrable Schrodinger operators in two dimensions. These operators first appeared in [BL] and [B] in connection with Huygens' principle, and our result completes, in a…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen-helium (H2-He) pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering…
Exact solutions to the d-dimensional Schroedinger equation, d\geq 2, for Coulomb plus harmonic oscillator potentials V(r)=-a/r+br^2, b>0 and a\ne 0 are obtained. The potential V(r) is considered both in all space, and under the condition of…
We present the first nonperturbative numerical calculations of the nonrelativistic hydrogen spectrum as predicted by first-quantized electrodynamics with nonlinear Maxwell-Born-Infeld field equations. We also show rigorous upper and lower…