Relativistic MR-MP Energy Levels for K-like Fe
- Univ. of Puerto Rico at Cayey (United States)
- Univ. of Puerto Rico at Rio Piedras, San Juan (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Univ. of California, Berkeley, CA (United States)
Relativistic Multi-Reference Møller-Plesset (MR-MP) many-body perturbation theory calculations are reported for the ground and excited states of Fe viii. Energies are provided for states coming from the configurations $$3{s}^{m}3{p}^{n}3{d}^{p}4{l}^{q}$$ (l = s, p, d, and f) with $m+n+p+q=9$, p ≤ 3, and q ≤ 1. The MR-MP results were compared with the recommended observed values in the CHIANTI-v8 database and with previous ab-initio calculations. The MR-MP calculations reproduce 90% of the available observed values within 3500 cm–1. The previous accurate ab-initio calculations reproduce only 50% of the observed values within 3500 cm–1. Furthermore, the electronic structure of Fe viii is very complex and our MR-MP results show that accurate calculations require the inclusion of not only 3s2–3d2, 3p2–3d2, and 3s3p–3d2 promotions but also of all electron correlations via perturbation theory.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC52-07NA27344
- OSTI ID:
- 1820542
- Report Number(s):
- LLNL-JRNL-808802; 1015001; TRN: US2214244
- Journal Information:
- The Astrophysical Journal. Supplement Series (Online), Vol. 247, Issue 2; ISSN 1538-4365
- Publisher:
- IOP PublishingCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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