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Ab initio calculation of the crystal field parameters in Cs2UCl6

โœ Scribed by v. Gajek; J. Mulak


Book ID
116016106
Publisher
Elsevier Science
Year
1986
Weight
141 KB
Volume
121
Category
Article
ISSN
0022-5088

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Ab initio calculation of ligand field co
โœ Betty Ng; D.J. Newman ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 227 KB

Many-body perturbation theory with non-orthogonal basis states has been used to determine contributions to &and field correlation effects in the system Mn 2+-F-(with Mn-F distance the same as in MnF,). A new phenomenological parameterization is proposed.