Nonadiabatic couplings from the Kohn-Sham derivative matrix: Formulation by time-dependent density-functional theory and evaluation in the pseudopotential framework
NIMS著者
Materials Data Repository (MDR)上の本文・データセット
作成時刻 :2016-05-24 16:18:32 +0900 更新時刻 :2022-01-10 16:10:59 +0900