Related papers: The rotating Morse potential model for diatomic mo…
We study the coupled rotation-vibration levels of a hydrogen molecule in a confining potential with cylindrical symmetry. We include the coupling between rotations and translations and show how this interaction is essential to obtain the…
This article presents a method of computing bound state potential curves and autoionizing curves using fixed-nuclei R-matrix data extracted from the Quantemol-N software suite. It is a method based on two related approaches of multichannel…
A new solvable hyperbolic single wave potential is found by expanding the regular solution of the 1D Schr\"odinger equation in terms of square integrable basis. The main characteristic of the basis is in supporting an infinite tridiagonal…
We show that a recently developed method for generating bounds for the discrete energy states of the non-hermitian $-ix^3$ potential (Handy 2001) is applicable to complex rotated versions of the Hamiltonian. This has important implications…
The interaction between vortex beam (VB) and molecule has drawn much attention in recent years, but the lack of theoretical method somehow limits its further analysis, especially when the molecular rotational degree of freedom is involved…
We use variable transformation from the real line to finite or semi-infinite spaces where we expand the regular solution of the 1D time-independent Schrodinger equation in terms of square integrable bases. We also require that the basis…
We present an ab initio study of the HeH$^+$ molecule. Using the quantum chemistry package MOLPRO and a large adapted basis set, we have calculated the adiabatic potential energy curves of the first 20 $^1 \Sigma^+$, 19 $^3\Sigma^+$, 12…
The method of potential envelopes is used to analyse the bound-state spectrum of the Schroedinger Hamiltonian H = -Delta -v/(r+b), where v and b are positive. We established simple formulas yielding upper and lower energy bounds for all the…
We represent low dimensional quantum mechanical Hamiltonians by moderately sized finite matrices that reproduce the lowest O(10) boundstate energies and wave functions to machine precision. The method extends also to Hamiltonians that are…
Energies of the low-lying bound S-states (L=0) of exotic three-body systems, consisting a nuclear core of charge +Ze (Z being atomic number of the core) and two negatively charged valence muons, have been calculated by hyperspherical…
Within the framework of the quark model and the variational method, the bound states of four heavy quarks (tetraquarks) are investigated. The basis variational wave functions are chosen in the Gaussian form. The matrix elements of the…
The rotational excitation of the three asymmetric-top molecular ion isotopologues H$_2$O$^+$, HDO$^+$, and D$_2$O$^+$ is studied theoretically using a combined framework of electron-molecule R-matrix scattering theory, multichannel…
The damping of collective rotational motion is investigated by means of particles-rotor model in which the angular momentum coupling is treated exactly and the valence nucleons are in a multi-$j$ shell mean-field. It is found that the onset…
We present a study of the spectral properties like the energy spectrum, the eigenmodes and density of states of a classical finite system of two-dimensional (2D) charged particles which are confined by a quadratic potential. Using the…
Mass spectra of the dimesonic (meson-antimeson) molecular states are computed using the Hellmann potential in variational approach, which consists of relativistic correction to kinetic energy term as well as to the potential energy term.…
In this paper, we introduced the 3D-Quantum Stationary Hamilton Jacobi Equation for a central potential, and established the 3D quantum law of motion of an electron in the presence of such a potential. We established a system of three…
In this paper we report calculations of potential energy curves in the $1.2 a.u.\le R\le100 a.u.$ range at Multireference Configuration Interaction (MRCI) level for doubly excited states of the H$_2$ molecule. We have focused on the $Q_2$…
We introduce new methods for the numerical solution of general Hamiltonian boundary value problems. The main feature of the new formulae is to produce numerical solutions along which the energy is precisely conserved, as is the case with…
In this work, Rydberg energy levels of the triatomic hydrogen molecule ($\rm{H_3}$) are studied with multichannel quantum-defect theory. We extract the body-frame p-wave quantum defects from highly accurate \emph{ab initio} electronic…
We revisit the quantum-mechanical two-dimensional hydrogen atom with an electric field confined to a circular box of impenetrable wall. In order to obtain the energy spectrum we resort to the Rayleigh-Ritz method with a polynomial basis…