Ionization potentials and electron affinity of oganesson with relativistic coupled cluster method

@article{Guo2021IonizationPA,
  title={Ionization potentials and electron affinity of oganesson with relativistic coupled cluster method},
  author={Yangyang Guo and Luk{\'a}{\vs} F. Pa{\vs}teka and Ephraim Eliav and Anastasia Borschevsky},
  journal={New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes},
  year={2021}
}

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References

SHOWING 1-10 OF 42 REFERENCES

Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas

Og is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases, and calculations in the nonrelativistic limit reveal a melting point for Og of 220 K, suggesting a gaseous state as expected for a typical noble gas element.

The electron affinity of astatine

The authors succeed in measuring the EA of astatine, the heaviest naturally occurring halogen, and compare it with predictions from relativistic calculations, and open the path for future EA measurements of other radioelements such as polonium, and eventually super-heavy elements.

Relativity in the electronic structure of the heaviest elements and its influence on periodicities in properties

Abstract Theoretical chemical studies demonstrated crucial importance of relativistic effects in the physics and chemistry of superheavy elements (SHEs). Performed, with many of them, in a close link

Oganesson Is a Semiconductor: On the Relativistic Band‐Gap Narrowing in the Heaviest Noble‐Gas Solids

The electronic structure of bulk Og is explored by means of relativistic Kohn–Sham density functional theory and many‐body perturbation theory in the form of the GW method and it is found that, in stark contrast to all other noble‐gas solids, the solid form of Og is a semiconductor.

Complete basis set extrapolation of electronic correlation energies using the Riemann zeta function.

The effectiveness of the method of complete basis set (CBS) extrapolation of correlation energies based on the application of the Riemann zeta function is demonstrated, which is an extrapolation method that is very easy to use and requires no "empirical" parameters to be optimized.

Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory.

It is shown that the functionals PBE-D3(BJ), PBEsol, and in particular SCAN provide excellent agreement with the many-body reference for solid oganesson, and periodic trends are discussed.

Colloquium : Superheavy elements: Oganesson and beyond

During the last decade, six new superheavy elements were added into the seventh period of the periodic table, with the approval of their names and symbols. This milestone was followed by proclaiming

Synthesis of the isotopes of elements 118 and 116 in the {sup 249}Cf and {sup 245}Cm+{sup 48}Ca fusion reactions

The decay properties of {sup 290}116 and {sup 291}116, and the dependence of their production cross sections on the excitation energies of the compound nucleus, {sup 293}116, have been measured in

SCF theory for excited states

Equations of Hartree-Fock type are formulated for a many-electron system described by a wave function containing any number of open and closed shells. The solutions define ‘optimal orbitals’ which