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Alloy design with the aid of molecular orbital method

โœ Scribed by Masahiko Morinaga; Hiroshi Yukawa


Book ID
110659748
Publisher
Springer-Verlag
Year
1997
Tongue
English
Weight
405 KB
Volume
20
Category
Article
ISSN
0250-4707

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The alloying behavior of 4d and 5d transition metals (TMs) in g-phase solid uranium (U) has been investigated using the discrete-variational DiraceFockeSlater (DV-DFS) method. We examined the d-orbital energy (Md value) of these TMs, the orbital overlap population (OOP) between the d-orbital of thes