To treat the electronic structure of large molecules by electron propagator
methods we developed a parallel computer program called P-RICDΣ. The
program exploits the sparsity of the two-electron integral matrix by using
Cholesky decomposition techniques. The advantage of these techniques is that
the error introduced is controlled only by one parameter which can be chosen as
small as needed. We verify the tolerance of electron propagator methods to the
Cholesky decomposition threshold and demonstrate the power of the
P-RICDΣ program for a representative example (C60). All decomposition
schemes addressed in the literature are investigated. Even with moderate
thresholds the maximal error encountered in the calculated electron affinities
and ionization potentials amount to a few meV only, and the error becomes
negligible for small thresholds.Comment: 30 pages, 6 figures submitted to J.Chem. Phy