| Abstract: | Stabilization energies and equilibrium distances of one-dimensional (HF)n and (H2O)n chains have been calculated by means of the PCILO method for finite chain length and by the PCILOCC method for infinite chain length. Both types of calculation are compared with corresponding CNDO /2-MO and CNDO /2-CO calculations. Further we have performed an analysis of the individual contributions of the stabilization energies per monomer of the PCILO and PCILOCC calculations. The results show that the PCILOCC method is well suited for the calculation of molecular associations with translational symmetry. |
