Open AccessSelf-Consistent Cluster Embedding Calculation Method and the Electronic Structure of Nickel Oxide and Cobalt Oxide.
Author(s) -
Hanqiu Zheng
Publication year - 2022
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.31390/gradschool_disstheses.5685
Subject(s) - antiferromagnetism , excited state , electronic structure , band gap , condensed matter physics , cluster (spacecraft) , ab initio , chemistry , density functional theory , materials science , atomic physics , physics , computational chemistry , organic chemistry , computer science , programming language