R. Szmytkowski et J. Hinze, CONVERGENCE OF THE NONRELATIVISTIC AND RELATIVISTIC R-MATRIX EXPANSIONS AT THE REACTION VOLUME BOUNDARY, Journal of physics. B, Atomic molecular and optical physics, 29(4), 1996, pp. 761-777
The convergence of the non-relativistic and relativistic fixed-boundar
y-condition R-matrix expansions at the reaction volume boundary is dis
cussed. It is shown that in the non-relativistic case the expansion of
the wavefunction converges to this function at the boundary. In the r
elativistic case, however, the expansion does not generally converge t
o the wavefunction at the reaction surface because the set of relativi
stic basis functions spanning the interior of the reaction volume is i
ncomplete on the surface. With one exception, this fact has not been r
ecognized before and has been a source of errors in previous presentat
ions of the relativistic R-matrix method. We present a corrected deriv
ation of the R-matrix theory for the Dirac equation and generalize it
to the multi-channel case. We also explain why, in spite of being base
d on an incorrect theory, the results of electron-atom and electron-io
n scattering calculations performed so far within the framework of the
relativistic R-matrix method were not afflicted by these errors.