Related papers: Solutions to some Molecular Potentials in D-Dimens…
We present analytically the exact energy bound-states solutions of the Schrodinger equation in $D$-dimensions for a pseudoharmonic potential plus ring-shaped potential of the form $V(r,\theta)=D_{e}(\frac{r}{% r_{e}}-\frac{r_{e}}{r})…
The leading nonadiabatic corrections to rovibrational levels of a diatomic molecule are expressed in terms of three functions of internuclear distance: corrections to the adiabatic potential, the effective nuclear mass, and the effective…
Curvilinear kinetic energy models are developed for variational nuclear motion computations including the inter- and the low-frequency intra-molecular degrees of freedom of the formic acid dimer. The coupling of the inter- and…
In this paper, we present the Stroboscopic Averaging Method (SAM), recently introduced in [7,8,10,12], which aims at numerically solving highly-oscillatory differential equations. More specifically, we first apply SAM to the Schr\"odinger…
In this paper we obtain asymptotic formulas of arbitrary order for the Bloch eigenvalue and the Bloch function of the periodic Schrodinger operator of arbitrary dimension, when corresponding quasimomentum lies near a diffraction hyperplane.…
The asymptotic behavior of solutions to Schr\"odinger equations with singular homogeneous potentials is investigated. Through an Almgren type monotonicity formula and separation of variables, we describe the exact asymptotics near the…
We report on a direct method to measure the internuclear potential energy curve of diatomic systems. A COLTRIMS reaction microscope was used to measure the squares of the vibrational wave functions of H$_{2}$, He$_{2}$, Ne$_{2}$, and…
We demonstrate that the Vlasov equation describing collisionless self-gravitating matter may be solved with the so-called Schr\"odinger method (ScM). With the ScM, one solves the Schr\"odinger-Poisson system of equations for a complex wave…
We present a formulation and implementation of an equation-of-motion (EOM) extension of the multireference driven similarity renormalization group (MR-DSRG) formalism for ionization potentials (IP-EOM-DSRG). The IP-EOM-DSRG formalism…
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…
The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange…
In this work, we use scattering method to study the Kramers-Fokker-Planck equation with a potential whose gradient tends to zero at the infinity. For short-range potentials in dimension three, we show that complex eigenvalues do not…
We propose a new analytical method to solve for the nonexactly solvable Schrodinger equation. Successfully, it is applied to a class of spiked harmonic oscillators and truncated Coulomb potentials. The utility of this method could be…
A semiempirical parametric method is proposed for modeling three-dimensional (time-resolved) vibronic spectra of polyatomic molecules. The method is based on the use of the fragment approach in the formation of molecular models for excited…
A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…
We propose a new method to characterize the spatial distribution of particles' vibrations in solids with much lower computational costs compared to the usual normal mode analysis. We excite the specific vibrational mode in a two dimensional…
A new approach to find exact solutions to one--dimensional quantum mechanical systems is devised. The scheme is based on the introduction of a potential function for the wavefunction, and the equation it satisfies. We recover known…
Utilizing an appropriate ansatz to the wave function, we reproduce the exact bound-state solutions of the radial Schrodinger equation to various exactly solvable sextic anharmonic oscillator and confining perturbed Coulomb models in…
We consider a single impurity atom trapped in a double well (DW) potential created by a dipolar two-soliton molecule in a quasi-one-dimensional geometry. By solving the eigenvalue problem for the impurity atom in the DW potential, we find…
The computation of vibrational spectra of diatomic molecules through the exact diagonalization of algebraically determined matrixes based on powers of Morse coordinates is made substantially more efficient by choosing a properly adapted…