Abstract
Time-dependent coupled Hartree-Fock calculations have been performed in the large bases molecules NO + , CO. CO 2 and C 2 H 2 . Some first- and second-order properties are presented, in particular the isotropic dispersion interaction coefficients C 6 000 , C 8 000 and C 10 000 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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
