Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans' theorem: An accurate description of methane photolysis.

Autor:	Manjanath, Aaditya1 (AUTHOR) manjanath.aaditya@nims.go.jp, Sahara, Ryoji1 (AUTHOR), Ohno, Kaoru1,2 (AUTHOR), Kawazoe, Yoshiyuki3,4,5 (AUTHOR)
Zdroj:	Journal of Chemical Physics. 5/14/2024, Vol. 160 Issue 18, p1-18. 18p.
Databáze:	Academic Search Ultimate
Externí odkaz:	Zobrazit plný text záznamu