Table 2 Comparison of the present calculations of the EA of At to other theoretical approaches.

From: The electron affinity of astatine

Method

EA(At)/eV

Ref.

CBS-DC-CCSDT(Q) + Breit + QED

2.414(16)

This work

MCDHF + SE corr.a

2.38(2)

19

MCDHF

2.416

16

DC-CCSD(T) + Breit + QED

2.412

17

MCDHF + Extrap. + Breit + QEDb

2.3729(46)

13

CBS-DC-CCSD(T)+Gaunt+QED

2.423(13)

14

Experiment

2.41578(7)

This work

  1. aMulticonfigurational Dirac-Fock (MCDF) results corrected using experimental data.
  2. bMCDF results extrapolated to complete active space limit.
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