The non-empirical calculation of second-order molecular properties by means of effective states. II. Effective TDCHF spectra for NO+ CO,CO2, and C2H2

Time-dependent coupled Hartree-Fock calculations have been performed in the large bases molecules NO⁺, CO. CO₂ and C₂H₂. Some first- and second-order properties are presented, in particular the isotropic dispersion interaction coefficients C₆⁰⁰⁰, C₈⁰⁰⁰ and C₁₀⁰⁰⁰ for all possible van der Waals dimers consisting of these monometers. These coefficients, and also the corresponding long-range anisotropic interaction coefficients, can be calculated easily for any of these dimers using the effective TDCHF multipole spectra presented in this paper. Formulas to this end are given.