ATOMIC PHOTO CROSS-SECTIONS BASED ON THE LOGARITHMIC DERIVATIVE VARIATIONAL PRINCIPLE - APPLICATION OF LOBATTO SHAPE FUNCTIONS

Lobatto shape functions, proposed as a translational basis for atomic scattering investigations based on the logarithmic derivative variational method, are shown to provide a convenient and accurate description of electronic continuum functions. To evaluate the method, applications to photoionisation of various rare gas atoms are presented. An effective local one-electron potential is used which is derived from density-functional theory. The present results allow some critical remarks on the accuracy of this type of potential which is frequently used in photoionisation calculations of larger molecules.