2019
DOI: 10.1103/physreva.99.042509
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Theoretical study of the electron structure of superheavy elements with an open 6d shell: Sg, Bh, Hs, and Mt

Abstract: We use recently developed efficient versions of the configuration interaction method to perform ab initio calculations of the spectra of superheavy elements seaborgium (Sg, Z = 106), bohrium (Bh, Z = 107), hassium (Hs, Z = 108) and meitnerium (Mt, Z = 109). We calculate energy levels, ionization potentials, isotope shifts and electric dipole transition amplitudes. Comparison with lighter analogs reveals significant differences caused by strong relativistic effects in superheavy elements. Very large spin-orbit … Show more

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Cited by 12 publications
(11 citation statements)
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“…This implementation allows systems with a large number of valence electrons to be calculated accurately with reasonable computational resources. Other CI methods for large valence systems have also proved successful [59,60].…”
Section: Methods For Calculationmentioning
confidence: 99%
“…This implementation allows systems with a large number of valence electrons to be calculated accurately with reasonable computational resources. Other CI methods for large valence systems have also proved successful [59,60].…”
Section: Methods For Calculationmentioning
confidence: 99%
“…As mentioned above, a novel configuration interaction approach to calculate the spectra of atoms with unfilled shells has been developed [9] and used to calculate the spectra, IPs and transition probabilities in SHEs Z = 102, 105 − 109 and Z = 118 and their respective lighter elemental analogs [9][10][11][12]. Recently the efficiency of this method has been improved upon with only a small additional cost of accuracy [23].…”
Section: The Cipt Methodsmentioning
confidence: 99%
“…This is similar to what was found when comparing the lighter open 6d−shell elements to their respectively lighter analogs in Refs. [10,11]. The electric dipole (E1) amplitudes and transition rates of these optically accessible states are calculate in Section V.…”
Section: Ds and Rgmentioning
confidence: 99%
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“…Calculations of atomic transitions of heavy elements including isotope shifts were performed in an astrophysical context to enable the search for atomic transitions in star light to determine the elemental abundances [104]. Progress in the theoretical treatment of open shells enables now calculation of elements with partly filled 5f shells such as Fm [84], Md [85] and for elements with open d-shells [105,106]. At present, calculations for most elements are existing [107,108,109,83,89,110,111,112,113,114] with some special emphasis on Og [115,116],…”
Section: Atomic Structure Of the Heaviest Elementsmentioning
confidence: 99%