Abstract
We present new methods to locate conical intersections of potential energy surfaces using the Pancharatnam connection and the Longuet-Higgins' sign-change theorem. We have applied the new methods to locate conical intersections for the H4 potential surface that are constructed by the valence-bond wave functions. The potential energy surface is rich in conical intersections that are not isolated in general but seen in the form of a seam or higher dimensional geometrical object. The `pair annihilation of conical intersections', i.e., the disappearance of two conical intersections by merging into a Renner–Teller crossing and successive lifting of the Renner–Teller crossing is observed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.