TY - JOUR
T1 - [Formula Presented] and [Formula Presented] x-ray emission spectra of metallic scandium
AU - Anagnostopoulos, Dimitrios F.
AU - Sharon, Ruth
AU - Gotta, Detlev
AU - Deutsch, Moshe
PY - 1999
Y1 - 1999
N2 - The [Formula Presented] and [Formula Presented] spectra from metallic scandium, the first of the [Formula Presented] transition elements, were measured using a high-resolution curved crystal spectrometer. The spectrometer resolution was determined employing a narrow emission line from pionic neon. The parameters of the resolution-corrected spectrum are extracted and compared to previous studies and theory. Fits to ab initio relativistic Dirac-Fock calculated spectra show that the [Formula Presented] spectrum can be accounted for using an isolated-atom model with diagram, [Formula Presented]- and [Formula Presented]- spectator hole transitions. The [Formula Presented] spectrum, however, cannot be fitted by such isolated-atom multiplets and may require employing nonlocalized bonding orbitals.
AB - The [Formula Presented] and [Formula Presented] spectra from metallic scandium, the first of the [Formula Presented] transition elements, were measured using a high-resolution curved crystal spectrometer. The spectrometer resolution was determined employing a narrow emission line from pionic neon. The parameters of the resolution-corrected spectrum are extracted and compared to previous studies and theory. Fits to ab initio relativistic Dirac-Fock calculated spectra show that the [Formula Presented] spectrum can be accounted for using an isolated-atom model with diagram, [Formula Presented]- and [Formula Presented]- spectator hole transitions. The [Formula Presented] spectrum, however, cannot be fitted by such isolated-atom multiplets and may require employing nonlocalized bonding orbitals.
UR - http://www.scopus.com/inward/record.url?scp=0002709591&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.60.2018
DO - 10.1103/PhysRevA.60.2018
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AN - SCOPUS:0002709591
SN - 2469-9926
VL - 60
SP - 2018
EP - 2033
JO - Physical Review A
JF - Physical Review A
IS - 3
ER -