Relativistic Configuration-Interaction and Perturbation Theory Calculations for Heavy Atoms
Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of parameters for energy agreement. One promising approach is relativistic configuration-interaction and many-body perturbation theory (CI-MBPT) methods. We present CI-MBPT results for various atomic systems where this approach can lead to reasonable agreement: La I, La II, Th I, Th II, U I, Pu II. Among atomic properties, energies, g-factors, electric dipole moments, lifetimes, hyperfine structure constants, and isotopic shifts are discussed. While in La I and La II accuracy for transitions is better than that obtained with other methods, more work is needed for actinides.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- 89233218CNA000001; AC52-06NA25396
- OSTI ID:
- 1833466
- Alternate ID(s):
- OSTI ID: 1853929
- Report Number(s):
- LA-UR-21-29627; PII: atoms9040104
- Journal Information:
- Atoms, Journal Name: Atoms Journal Issue: 4 Vol. 9; ISSN 2218-2004; ISSN ATOMC5
- Publisher:
- MDPI AGCopyright Statement
- Country of Publication:
- Switzerland
- Language:
- English
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