ArticleThe journal of physical chemistry. A2025

General Spin Restricted Open-Shell Configuration Interaction Singles (GS-ROCIS): Implementation of Spin-Orbit Coupling and Zeeman Operators for Calculation of Optical and X-ray Absorption and Magnetic Circular Dichroism Spectra of Magnetically Coupled Transition Metal Systems.

Tiago Leyser da Costa Gouveia et al.PubMed ↗Full text ↗Publisher ↗

No numbers read from the abstract.