Abstract

This paper develops inversion algorithms to extract an excited electronic state potential energy surface based on absorption spectral data from assumed known lower reference electronic states. A global singularity problem is identified which may also play an important role in other inversion algorithms. The means to remove or circumvent the singularity are discussed. Simulations of the proposed inversion algorithms are tested in a one-dimensional model system.

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 call

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.