Ground-state splitting of Am{sup 2+} in CaF{sub 2}
Conference
·
OSTI ID:437271
- Ohio State Univ., Columbus, OH (United States)
The energy-level splittings of the 5f{sup 7} nominal {sup 8}S{sub 7/2} ground-state of Am{sup 2+} in an octahedral site of CaF{sub 2} were studied using ab initio quantum chemical methods. The CaF{sub 2} host was modeled with a large finite cluster of ions which approximate the Madelung potential of the crystal lattice. The potential energy curve for the symmetric stretch of the nearest-neighbor fluoride ions was calculated. The actinide dopant was treated with relativistic core potentials and Gaussian double-zeta basis sets.
- OSTI ID:
- 437271
- Report Number(s):
- CONF-9606118-; TRN: 96:005696-0067
- Resource Relation:
- Conference: 51. Ohio State University international symposium on molecular spectroscopy, Columbus, OH (United States), 10-14 Jun 1996; Other Information: PBD: 1996; Related Information: Is Part Of Ohio State University 51st international symposium on molecular spectroscopy; PB: 272 p.
- Country of Publication:
- United States
- Language:
- English
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