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. 2020 Nov 2;59(22):16251–16264. doi: 10.1021/acs.inorgchem.0c02032

Table 1. Ab Initio Hartree–Fock Values of Slater Integrals and Spin-Orbit Coupling Constants in the Ground-State Configurationsa.

    Hartree–Fock Values (eV)
  n F2(5f,5f) F4(5f,5f) F6(5f,5f) ζ(5f)
Th(IV) 0 0 0 0 0
U(IV) 2 9.514 6.224 4.569 0.261
Np(IV) 3 9.907 6.489 4.767 0.297
Pu(IV) 4 10.282 6.741 4.955 0.334
Am(IV) 5 10.642 6.982 5.136 0.373
Cm(IV) 6 10.990 7.216 5.310 0.414
Bk(IV) 7 11.328 7.442 5.479 0.457
Cf(IV) 8 11.657 7.662 5.642 0.502
a

In the RIXS calculation, the Slater integrals were reduced to 80% of these values.