相关论文: Ro-vibrational spectroscopy of molecules represent…
Following the first principles the analytic Born-Oppenheimer (BO) potential curve for the ground state $X^1\Sigma^+$ of the molecule ClF is proposed for whole range of internuclear distances $R \in [0,\infty)$. It is based on matching the…
The calculation of the hindered roton-phonon energy levels of a hydrogen molecule in a confining potential with different symmetries is systematized for the case when the rotational angular momentum $J$ is a good quantum number. One goal of…
Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and…
In this work, we present analytical solution of Schr\"odinger equation of confined pseudoharmonic potential in presence of a moving boundary condition, for an arbitrary angular momentum state. It turns out that an important quantity to…
The quantum description of a particle moving in a deformed potential is investigated. A pseudostate (PS) basis is used to represent the states of the composite system. This PS basis is obtained by diagonalizing the system Hamiltonian in a…
We investigate the dynamics of diatomic molecules subjected to both a femtosecond mid-infrared laser pulse and Gaussian white noise. The stochastic Schr\"odinger equation with a Morse potential is used to describe the molecular vibrations…
A general variational approach for computing the rovibrational dynamics of polyatomic molecules in the presence of external electric fields is presented. Highly accurate, full-dimensional variational calculations provide a basis of…
By using an ansatz for the eigenfunction, we have obtained the exact analytical solutions of the radial Schrodinger equation for the pseudoharmonic and Kratzer potentials in two dimensions. The energy levels of all the bound states are…
We investigate bound states of a non-relativistic scalar particle in a three-dimensional helically twisted (torsional) geometry, considering both the free case and the presence of external radial interactions. The dynamics is described by…
This paper presents the exact ground state solution for a diatomic particle system with position-dependent complex mass under action of a complex Morse potential in the quantum domain. By solving the position-dependent Schr\"odinger…
Starting from the semi-classical spectrum of Schr\"odinger operators $-h^2\Delta+V$ (on $\mathbb{R}^n$ or on a Riemannian manifold) it is possible to detect critical levels of the potential $V$. Via micro-local methods one can express…
We introduce a new method for computing spectra of molecules for which a spin-spin term in the Hamiltonian has an important effect. In previous calculations, matrix elements of the spin-spin term and of the potential were obtained by…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
Duo is a general, user-friendly program for computing rotational, rovibrational and rovibronic spectra of diatomic molecules. Duo solves the Schr\"{o}dinger equation for the motion of the nuclei not only for the simple case of uncoupled,…
In this article, we present the analytical solution of the radial Schr\"{o}dinger equation for the Hulth\'{e}n potential within the framework of the asymptotic iteration method by using an approximation to the centrifugal potential for any…
We derive the Thermodynamic Bethe Ansatz (TBA) equations for the Schr\"odinger equation with an arbitrary polynomial potential and a regular singular (simple and double pole) term. The TBA equations provide a non-trivial generalization of…
We solve the parametric generalized effective Schr\"odinger equation with a specific choice of posi-tion-dependent mass function and Morse oscillator potential by means of the Nikiforov-Uvarov (NU) method combined with the Pekeris…
Using the effective rotational Hamiltonian method, we have conducted an analysis of the D218O ground and the first excited vibration state rotational energy levels. The analysis was based on the effective Hamiltonians represented in several…
This is the second article in which we study the rotating Morse potential model for diatomic molecules using the tridiagonal J-matrix approach. Here, we improve further the accuracy of computing the bound states and resonance energies for…
Making an ansatz to the wave function, the exact solutions of the $D$% -dimensional radial Schrodinger equation with some molecular potentials like pseudoharmonic and modified Kratzer potentials are obtained. The restriction on the…