Procedure for correcting variational R-matrix calculations for polarization response

Abstract

Using standard bound-state methodology, variational calculations of molecular R matrices can severely underestimate polarization response in the near-target region inside the R-matrix boundary. An [Formula Presented] procedure is proposed here as an easily implemented but significant improvement of such R matrices. The efficacy of this procedure is demonstrated in calculations of differential and integral cross sections for vibrationally elastic [Formula Presented] scattering at and below 1 eV. © 2001 The American Physical Society.