Open AccessElectronic Structure of Diatomic Molecules in the Local Density Approximation.
Author(s) -
Sitangshu Dhar
Publication year - 2022
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.31390/gradschool_disstheses.4090
Subject(s) - diatomic molecule , atomic physics , dipole , ground state , chemistry , electronic structure , ionization energy , ab initio , gaussian , moment (physics) , physics , molecule , ionization , computational chemistry , quantum mechanics , ion