Abstract
The electronic structure of molecules calculated in the limit of infinite spatial dimensions is related to properties in three-dimensional space. In the spirit of the electrostatic theorem, we introduce the concept of antibinding and binding regions to visualize chemical binding. In addition, criteria are developed to determine the ionic or covalent character of the bond. The computational effort requires only the minimization of a multidimensional potential surface at the infinite dimensional limit, yet detailed information can be extracted. Numerical examples are given for the one-electron diatomic molecule
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.