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Ab initio calculation of ligand field parameters for rare earths

โœ Scribed by M. Faucher; D. Garcia

Book ID
116015306
Publisher
Elsevier Science
Year
1985
Weight
821 KB
Volume
111
Category
Article
ISSN
0022-5088

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๐Ÿ“œ SIMILAR VOLUMES

Ab initio calculation of ligand field co
Ab initio calculation of ligand field correlation effects in Mn2+-Fโˆ’
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.