Two series of contracted all-electron basis sets are presented for Rb to Xe which were obtained by full optimization of atomic SCF energies. The smaller, economic basis is of split valence type. The larger is of triple zeta type for the 4d atomic orbitals and better than double zeta quality for remaining valence orbitals.
R. Ahlrichs and K. May, Phys. Chem. Chem. Phys., 2000, 2, 943 DOI: 10.1039/A908859H
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...
