Program vcpbn

This program calculates the V_(C) model correlation potential for use as a local approximation to the exact correlation/polarization optical potential using the Boronski and Nieminen potential [see Boronski and Nieminen, Phys. Rev. B 34, 3820 (1986), and Gianturco, Mukherjee and Paioletti, Phys. Rev. A 56, 3638 (1997).] This potential is obtained from considering the interaction of a positron with an electron gas, and thus has been used to model positron-molecule scattering. The asymptotic part of the potential has been further modified so that after R_s = 4.0, the potential goes to zero.

Input data records

  1. iuang, iugrd, iuanrd, iuden, iuvcpl

Definition of the input variables

iuang
input unit with angular grid information.
iugrd
input unit with radial grid information.
iuanrd
input unit with information about l cutoff regions.
iuden
input unit with electron density.
iuvcpl
output unit with the correlation potential.