Table 2. Ab Initio Hartree-Fock Values of Slater Integrals and Spin-Orbit Coupling Constants in the Intermediate-State Configurationsa.
| Hartree–Fock Values (eV) |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| F2(5f,5f) | F4(5f,5f) | F6(5f,5f) | ζ(5f) | F2(3d,5f) | F4(3d,5f) | G1(3d,5f) | G3(3d,5f) | G5(3d,5f) | ζ(3d) | |
| Th(IV) | 0 | 0 | 0 | 0.233 | 2.192 | 1.008 | 1.694 | 1.022 | 0.714 | 66.004 |
| U(IV) | 10.025 | 6.572 | 4.831 | 0.301 | 2.564 | 1.190 | 2.003 | 1.211 | 0.847 | 73.384 |
| Np(IV) | 10.394 | 6.820 | 5.016 | 0.338 | 2.741 | 1.277 | 2.151 | 1.301 | 0.910 | 77.308 |
| Pu(IV) | 10.750 | 7.059 | 5.194 | 0.377 | 2.915 | 1.362 | 2.296 | 1.390 | 0.973 | 81.395 |
| Am(IV) | 11.093 | 7.289 | 5.366 | 0.418 | 3.085 | 1.447 | 2.439 | 1.478 | 1.035 | 85.649 |
| Cm(IV) | 11.427 | 7.512 | 5.532 | 0.461 | 3.251 | 1.529 | 2.578 | 1.563 | 1.095 | 90.076 |
| Bk(IV) | 11.754 | 7.731 | 5.695 | 0.506 | 3.410 | 1.607 | 2.710 | 1.645 | 1.152 | 94.681 |
| Cf(IV) | 12.072 | 7.943 | 5.854 | 0.553 | 3.568 | 1.685 | 2.844 | 1.727 | 1.210 | 99.468 |
a
In the RIXS calculation, the Slater integrals were reduced to 80% of these values.