Gaussian basis sets for the rare earths
Journal Article
·
· J. Chem. Phys.; (United States)
Extended Gaussian basis sets have been calculated for the neutral and trivalent rare earth atoms. The characteristics of these sets, which are available on request, are reported. The quality of the wave functions is discussed on the basis of a comparison of a number of calculated properties with those of numerical Hartree--Fock calculations. The agreement shown is very satisfactory.
- Research Organization:
- Department of Chemical Physics, University of Groningen, Nijenborgh 16, 9747 AG Groningen, The Netherlands
- OSTI ID:
- 5535233
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 72:6; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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