R.K. Nesbet
The Journal of Chemical Physics
Exact asymptotic wave functions are included in the basis set for variational calculations of the K matrix in a multichannel model problem. Rapid convergence to exact results is demonstrated for both the variational R-matrix method and for the restricted-interpolated-anomaly-free (RIAF) variant of the Hulthén-Kohn method. If "irregular" asymptotic functions are omitted, convergence of the R-matrix calculations is much less satisfactory. By a particular choice of the form of discrete basis functions, vanishing at a fixed radius r1 in the model problem, the main computational steps of both methods are made to be identical. © 1981 The American Physical Society.
R.K. Nesbet
The Journal of Chemical Physics
A.-L. Sinfailam, R.K. Nesbet
Physical Review A
R.K. Nesbet
Physical Review A
Colm T. Whelan, R.K. Nesbet, et al.
Journal of Electron Spectroscopy and Related Phenomena