Journal of Chemical Physics, Vol.102, No.13, 5350-5356, 1995
Ab-Initio Finite Oligomer Method for Nonlinear-Optical Properties of Conjugated Polymers, Hartree-Fock Static Longitudinal Hyperpolarizability of Polyacetylene
Keywords:LOCAL SPACE APPROXIMATION;PSEUDOSPECTRAL METHOD;ELECTRONIC-STRUCTURE;CONFIGURATION-INTERACTION;ABINITIO CALCULATIONS;CLUSTER CALCULATIONS;CHAIN APPROXIMATION;ORGANIC-MOLECULES;COUPLED-CLUSTER;BULK PROPERTIES