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A numerical calculation of the orbital magnetic susceptibility for BCC 3d series transition metals

✍ Scribed by Yasui, M; Shimizu, M


Book ID
120239765
Publisher
Institute of Physics
Year
1979
Tongue
English
Weight
727 KB
Volume
9
Category
Article
ISSN
0305-4608

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Augmented (4d) and (5d) Gaussian basis sets are presented which provide a balanced description of the 4s23dnβˆ’2, 4s3dnβˆ’1, and 3dn configurations of transitionβˆ’metal atoms. When compared to accurate Hartree–Fock calculations, the (4d) and (5d) expansions in the literature, which have been optimized fo