First Ionization Energy as the Asymptotic Limit of the Average Local Electron Energy
El-Samman, Amer M., Ospadov, Egor, Staroverov, Viktor N.Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00806
Date:
October, 2020
File:
PDF, 631 KB
2020