Abstract
A theory of multiplet hole splittings of core‐electron binding energies in transition‐metal ions is developed including correlation effects. Correlation effects are found to be important for understanding the magnitude and intensity ratios of the observed splittings. New multiplet structure is predicted for the 3s multiplets, a structure which does not exist in any rigorous one‐electron theory and which has now been observed by Kowalczyk et al.
| Original language | English |
|---|---|
| Pages (from-to) | 83-92 |
| Number of pages | 10 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 7 |
| Issue number | 7 S |
| DOIs | |
| Publication status | Published - 1973 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry
Cite this
Correlation and multiplet hole theory of core‐electron energy splittings in transition‐metal ions. / Bagus, P. S.; Freeman, Arthur J; Sasaki, F.
In: International Journal of Quantum Chemistry, Vol. 7, No. 7 S, 1973, p. 83-92.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Correlation and multiplet hole theory of core‐electron energy splittings in transition‐metal ions
AU - Bagus, P. S.
AU - Freeman, Arthur J
AU - Sasaki, F.
PY - 1973
Y1 - 1973
N2 - A theory of multiplet hole splittings of core‐electron binding energies in transition‐metal ions is developed including correlation effects. Correlation effects are found to be important for understanding the magnitude and intensity ratios of the observed splittings. New multiplet structure is predicted for the 3s multiplets, a structure which does not exist in any rigorous one‐electron theory and which has now been observed by Kowalczyk et al.
AB - A theory of multiplet hole splittings of core‐electron binding energies in transition‐metal ions is developed including correlation effects. Correlation effects are found to be important for understanding the magnitude and intensity ratios of the observed splittings. New multiplet structure is predicted for the 3s multiplets, a structure which does not exist in any rigorous one‐electron theory and which has now been observed by Kowalczyk et al.
UR - http://www.scopus.com/inward/record.url?scp=84926722442&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84926722442&partnerID=8YFLogxK
U2 - 10.1002/qua.560070712
DO - 10.1002/qua.560070712
M3 - Article
AN - SCOPUS:84926722442
VL - 7
SP - 83
EP - 92
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - 7 S
ER -