Open AccessA systematic determination of extended atomic orbital basis sets and application to molecular SCF and MCSCF calculations
Author(s) -
David Francis Feller
Publication year - 2018
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.31274/rtd-180817-1312
Subject(s) - basis (linear algebra) , computational chemistry , molecular orbital , computer science , chemistry , atomic physics , physics , mathematics , quantum mechanics , molecule , geometry