Ag. Abrashkevich et al., HSTERM - A PROGRAM TO CALCULATE POTENTIAL CURVES AND RADIAL MATRIX-ELEMENTS FOR 2-ELECTRON SYSTEMS WITHIN THE HYPERSPHERICAL ADIABATIC APPROACH, Computer physics communications, 90(2-3), 1995, pp. 311-339
A FORTRAN 77 program is presented which calculates potential curves an
d matrix elements of radial coupling for two-electron systems using th
e hyperspherical coordinate method. The adiabatic and diabatic-by-sect
or close-coupling approaches are considered, The program calculates al
so the overlap matrices on borders of all sectors which are necessary
for integration of close-coupling hyperradial equations within the sec
tor-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 an
d accuracy of the computational scheme elaborated are studied in detai
ls. Radial matrix elements computed by the HSTERM program can be used
for the solution of the bound state and scattering problems for two-el
ectron systems in both the adiabatic and diabatic-by-sector close-coup
ling approaches.