This command computes the K or T scattering matrix for positron-molecule scattering.
If the environment variable
SaveItStem is defined, then
the command catenates the newly computed scattering matrix elements onto the
end of the file
Data records used
the IR of the continuum orbital.
the type of the scattering matrix.
the maximum l used in the expansion of the
homogeneous scattering solution. This is thus the dimension of the scattering matrix.
parameter that controls the asymptotic integration.
scattering energy, in eV.
number of regions used in stabilization.
degeneracy of orbital groups.
potential energy formula.
optional, this data record controls where the asymptotic integration is truncated.
optional, this data record controls which orbital groups the continuum function is constrained to be
orthogonal to. This overides the orthogonality constraints specified in EngForm.
optional, the form of the asymptotic potential.