SCHEDULED MAINTENANCE
In multi-configuration self-consistent field (MC SCF) calculations a many-configuration approximation to the wave function is optimized by variation of the orbitals. The equations satisfied by the optimum orbitals are formulated, along with a practicable method of numerical solution. Incidental problems arising in the computer implementation of MC SCF calculations are also discussed.
R. McWeeny, Symp. Faraday Soc., 1968, 2, 7 DOI: 10.1039/SF9680200007
To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.
If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.
If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.
Read more about how to correctly acknowledge RSC content.
Please wait while we load your content...