Studies on Atomic and Molecular Properties Using Locally Scaled and Perdew-Zunger Self-Interaction Corrected Density Functional Approximations
PA Oyedele - 2023 - search.proquest.com
This thesis examines some properties of atoms and molecules using one-electron self-
interaction-correction (SIC) methods such as the Perdew-Zunger SIC (PZSIC) and the locally …
interaction-correction (SIC) methods such as the Perdew-Zunger SIC (PZSIC) and the locally …