Abstract
In studying methods for the ab-initio calculation of Van der Waals interactions which can be extended to larger molecules, we have tested the Valence Bond scheme on the He2 system. This method looks promising, as it appears to yield in one consistent formalism both the attractive dipole—dipole terms and the repulsive exchange terms with reasonable accuracy, using only a simple orbital basis and a very small number of VB structures.
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.
