Abstract
Time-dependent Hartree–Fock calculations of excitation energies, oscillator strengths, and related properties are reported for the molecules H2 and HeH+. For a wide range of internuclear separations, the results are in accord with more refined comparison data. The comparison demonstrates that the time-dependent Hartree–Fock method yields accurate molecular properties over a range of internuclear distances.
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.
