Applicability of the Restricted Active Space Self Consistent Field Methodology to problems in transition metal and f-element
Computational investigations of transition metal and f-element complexes, with their inherent multiconfigurational nature, can present significant challenges to the computational chemist. In this thesis the applicability of the Restricted Active Space Self Consistent Field (RASSCF) methodology to ta...
| Main Author: | |
|---|---|
| Published: |
University College London (University of London)
2018
|
| Subjects: | |
| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.747545 |