All-electron first-principles GWΓ simulations for accurately predicting core-electron binding energies considering first-order three-point vertex corrections.

Autor: Yoneyama, Kenta1 (AUTHOR), Noguchi, Yoshifumi1 (AUTHOR) NOGUCHI.Yoshifumi@shizuoka.ac.jp, Ohno, Kaoru2 (AUTHOR)
Zdroj: Journal of Chemical Physics. 10/21/2024, Vol. 161 Issue 15, p1-9. 9p.
Databáze: Academic Search Ultimate