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