Limitations of the equivalent core model for understanding core-level spectroscopies

Journal Article
Physical Chemistry Chemical Physics, vol. 22, iss. 39, pp. 22617-22626, 2020
Authors
Paul S. Bagus, Carmen Sousa, Francesc Illas
Abstract

Differences when the ionized, blue, atom is represented with a core-hole or with a Z + 1 equivalent core are explored.

English