Discovery of the Heaviest Elements

Heßberger, F. P.

doi:10.1002/cphc.201201011

Cited by 12 publications

(7 citation statements)

References 51 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[17][18][19][20][21][22][23][24][25][26][27][28] and references therein). [36][37][38] The half-life of this isotope is 0.89 ms, which is beyond the limits of present-day techniques for the chemical study of superheavy elements. [29][30][31][32] In passing we should note that the chemical exploration of radon is limited due to its price and radioactivity, and it is mostly known [33][34][35] whereas (possibly) only three single atoms of the isotope 294 118 have been synthesized.…”

Section: Introductionmentioning

confidence: 99%

A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers

Shee

Knecht

Saue

2015

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Spectroscopic constants for the homonuclear dimers of the very heavy rare gases radon (Rn) and eka-radon (Uuo) are reported. A computational protocol using the eXact 2-Component molecular-mean field Hamiltonian has been established based on extensive calculations of the xenon dimer. We find that reliable results require CCSD(T) calculations at the extrapolated basis set limit. In this limit counterpoise corrected results are closer to experimentally derived values than uncorrected ones. Furthermore, in an attempt to reduce the computational cost while retaining very high accuracy, we studied the performance of range-separated density functional theory. Although we observe a somewhat more favorable basis set convergence and reduced importance of connected triples by range-separated methods compared to pure wave function theory, in practice we have to employ the same computational protocol for obtaining converged results. At the Dirac-Coulomb level we find an almost fourfold increase of binding energy when going from the radon to the eka-radon dimer, but the inclusion of spin-other orbit interaction reduces the dissociation energy of the heaviest dimer by about 40%.

show abstract

Section: Introductionmentioning

confidence: 99%

A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers

Shee

Knecht

Saue

2015

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…The study of the SHE is motivated by the search of the island of stability, where atomic nucleus of a SHE has long lifetime due to its closed-shell structure (see, e.g. [2][3][4]). The SHE are also interesting objects to study the interplay between correlation and relativistic effects in extreme conditions.…”

Section: Introductionmentioning

confidence: 99%

Combining configuration interaction with perturbation theory for atoms with a large number of valence electrons

et al. 2017

View full text Add to dashboard Cite

A version of the configuration interaction (CI) method is developed which treats highly excited many-electron basis states perturbatively, so that their inclusion does not affect the size of the CI matrix. This removes, at least in principle, the main limitation of the CI method in dealing with many-electron atoms or ions. We perform calculations of the spectra of iodine and its ions, tungsten, and ytterbium as examples of atoms with open s, p, d and f -shells. Good agreement of the calculated data with experiment illustrates the power of the method. Its advantages and limitations are discussed.PACS numbers:

show abstract

“…Study of superheavy elements (SHE, nuclear charge Z > 103) is an important area of research motivated by the search of hypothetical stability island (see, e.g. [1,2,3,4,5]). Experimental work focuses mostly on production and detection of SHE and study of their chemical properties, while there is also some progress in the measurements of the atomic properties.…”

Section: Introductionmentioning

confidence: 99%

Electron structure of superheavy elements Uut, Fl and Uup (Z=113 to 115)

Dzuba

Flambaum

2016

Hyperfine Interact

View full text Add to dashboard Cite

We use recently developed method of accurate atomic calculations which combines linearized single-double coupled cluster method with the configuration interaction technique to calculate ionisation potentials, excitation energies, static polarizabilities and valence electron densities for superheavy elements Uut, Fl and Uup (Z=113 to 115) and their ions. The accuracy of the calculations is controlled by comparing similar calculations for lighter analogs of the superheavy elements, Tl, Pb and Bi with experiment. The role of relativistic effects and correlations is discussed and comparison with earlier calculations is presented.Keywords superheavy elements · elements E113, E114, E115 · element flerovium · relativistic and correlation effects in atoms

show abstract

Discovery of the Heaviest Elements

Cited by 12 publications

References 51 publications

A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers

A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers

Combining configuration interaction with perturbation theory for atoms with a large number of valence electrons

Electron structure of superheavy elements Uut, Fl and Uup (Z=113 to 115)

Contact Info

Product

Resources

About