ASYMPT: a program for calculating asymptotics of hyperspherical potential curves and adiabatic potentials
Description
Abstract A FORTRAN program is presented which calculates asymptotics of potential curves and adiabatic potentials with an accuracy of O(ρ^(-2)) in the framework of the hyperspherical adiabatic (HSA) approach. Here, ρ is the hyperradius. It is shown that matrix elements of the equivalent operator corresponding to the perturbation ρ^(-2)have a simple form in the basis of the Coulomb parabolic functions in the body-fixed frame and can be easily computed for high values of total orbital momentum and ... Title of program: ASYMPT Catalogue Id: ADLL_v1_0 Nature of problem The purpose of this program is to calculate asymptotics of hyperspherical potential curves and adiabatic potentials with an accuracy of O(rho^-2) within the hyperspherical adiabatic approach [3,4]. Corrections to matrix elements of potential coupling are calculated as well. The program finds also the matching points between the numerical and asymptotic adiabatic curves within the given accuracy. The adiabatic potential asymptotics can be used for the calculation of the energy levels and radial ... Versions of this program held in the CPC repository in Mendeley Data ADLL_v1_0; ASYMPT; 10.1016/S0010-4655(99)00475-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)