1968/12/01 by R. McWeeny, Geerd H. F. Diercksen · 1 citation
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Physics of Superconductivity and Magnetism
paper · doi:10.1063/1.1669970
openalex publication_date 1968/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22
The self-consistent perturbation theory developed in earlier papers is extended to the open-shell case. Density matrices for both shells are calculated iteratively until first-order self-consistency is achieved. A numerical application indicates the importance of considering both shells separately when discussing the effects of polarization on the charge density and the spin density.