| 1. |
- Fischer, Charlotte Froese, et al.
(författare)
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Advanced multiconfiguration methods for complex atoms : I. Energies and wave functions
- 2016
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Ingår i: Journal of Physics B: Atomic, Molecular and Optical Physics. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 49:18
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Forskningsöversikt (refereegranskat)abstract
- Multiconfiguration wave function expansions combined with configuration interaction methods are a method of choice for complex atoms where atomic state functions are expanded in a basis of configuration state functions. Combined with a variational method such as the multiconfiguration Hartree-Fock (MCHF) or multiconfiguration Dirac-Hartree-Fock (MCDHF), the associated set of radial functions can be optimized for the levels of interest. The present review updates the variational MCHF theory to include MCDHF, describes the multireference single and double process for generating expansions and the systematic procedure of a computational scheme for monitoring convergence. It focuses on the calculations of energies and wave functions from which other atomic properties can be predicted such as transition rates, hyperfine structures and isotope shifts, for example.
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| 2. |
- Radziute, Laima, et al.
(författare)
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Electric dipole moments of superheavy elements : A case study on copernicium
- 2016
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Ingår i: Physical Review A: covering atomic, molecular, and optical physics and quantum information. - : American Physical Society. - 2469-9926 .- 2469-9934. ; 93:6
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Tidskriftsartikel (refereegranskat)abstract
- The multiconfiguration Dirac-Hartree-Fock method was employed to calculate the atomic electric dipole moments (EDMs) of the superheavy element copernicium (Cn, Z = 112). The EDM enhancement factors of Cn, calculated here, are about one order of magnitude larger than those of Hg. The exponential dependence of the enhancement factors on the atomic number Z along group 12 of the periodic table was derived from the EDMs of the entire homologous series, Zn, Cd, Hg, Cn, and Uhb. These results show that superheavy elements with sufficiently long half-lives are potential candidates for EDM searches.
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