HSTERM - A PROGRAM TO CALCULATE POTENTIAL CURVES AND RADIAL MATRIX ELEMENTS FOR TWO-ELECTRON SYSTEMS WITHIN THE HYPERSPHERICAL ADIABATIC APPROACH

摘要

A FORTRAN 77 program is presented which calculates potential curves and matrix elements of radial coupling for two-electron systems using the hyperspherical coordinate method. The adiabatic and diabatic-by-sector close-coupling approaches are considered, The program calculates also the overlap matrices on borders of all sectors which are necessary for integration of close-coupling hyperradial equations within the sector-diabatic approach. It performs also the computation of the angular part of dipole amplitudes (in the length and acceleration forms) for dipole transitions between two given atomic states. The convergence and accuracy of the computational scheme elaborated are studied in details. Radial matrix elements computed by the HSTERM program can be used for the solution of the bound state and scattering problems for two-electron systems in both the adiabatic and diabatic-by-sector close-coupling approaches. [References: 63]