相关论文: Calculation of IR absorption intensities for hydro…
The infrared (IR) spectra of protonated water clusters encode precise information on the dynamics and structure of the hydrated proton. However, the strong anharmonic coupling and quantum effects of these elusive species remain puzzling up…
We investigate the photoionization spectrum of helium by attosecond XUV pulses both in the spectral region of doubly excited resonances as well as above the double ionization threshold. In order to probe for convergence, we compare three…
In this paper, we present the solutions of the Schr\"{o}dinger equation and the thermodynamic properties of generalized hyperbolic Hulthen and Woods-Saxon potential. The eigenvalues and eigenfunctions were found using the parametric…
Integral relations and transformation rules are used to obtain, out of an asymptotic solution, a new group of four pairs of solutions to the double-confluent Heun equation. Each pair presents the same series coefficients but has solutions…
The Schroedinger equation with one and two dimensional potentials are solved in the frame work of the sl(2) Lie algebra. Eigenfunctions of the Schroedinger equation for various asymmetric double-well potentials have been determined and the…
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,…
High harmonic spectra show that laser-induced strong field ionization of water has a significant contribution from an inner-valence orbital. Our experiment uses the ratio of H2O and D2O high harmonic yields to isolate the characteristic…
A method is proposed for calculating the absorption spectrum of a long one-dimensional closed-into-a-ring chain with Frenkel's exciton under diagonal disorder. This disorder is represented by the hyperbolic singularities of atomic fission.…
We report on a direct method to measure the internuclear potential energy curve of diatomic systems. A COLTRIMS reaction microscope was used to measure the squares of the vibrational wave functions of H$_{2}$, He$_{2}$, Ne$_{2}$, and…
Density functional calculations of Rydberg excited states up to high energy are carried out for several molecules using an approach where the orbitals are variationally optimized by converging on saddle points on the electronic energy…
An optical absorption spectrum constitutes one of the most fundamental material characteristics, with relevant applications ranging from material identification to energy harvesting and optoelectronics. However, the database of both…
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…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal surface, O(2x2)/Ru(0001). Focussing particularly on the…
Measuring terahertz (THz) conductivity on an ultrafast time scale is an excellent way to observe charge-carrier dynamics in semiconductors as a function of time after photoexcitation. However, a conductivity measurement alone cannot…
The eigenfunctions and eigenvalues of the linearized Boltzmann equation for inelastic hard spheres (d=3) or disks (d=2) corresponding to d+2 hydrodynamic modes, are calculated in the long wavelength limit for a granular gas. The transport…
We show that a consistent hydrodynamic description of soft-hadronic one- and two-particle observables (the HBT radii) studied in the relativistic heavy-ion collisions at RHIC may be obtained if one uses the Gaussian energy density profile…
The electrical evaluation of the crystallinity of hexagonal boron nitride (h-BN) is still limited to the measurement of dielectric breakdown strength, in spite of its importance as the substrate for 2-dimensional van der Waals…
The Born-Oppenheimer potential for the $^1\Sigma_g^+$ state of H$_2$ is obtained in the range of 0.1 -- 20 au, using analytic formulas and recursion relations for two-center two-electron integrals with exponential functions. For small…
The Born-Infeld equation in the plane is usefully captured in complex language. The general exact solution can be written as a combination of holomorphic and anti-holomorphic functions. However, this solution only expresses the potential in…