(1s 2 2s 2 2p 4 5d 1 ) 4 F P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | 1.968037 | 1.11844645 |
| 2 | 4d | 1.425469 | -4.92750554 |
| 3 | 5d | 1.420957 | 4.57733962 |
| 4 | 3d | 4.583632 | .07078372 |
| 5 | 5d | 6.838107 | -.01613961 |
| 6 | 4d | 13.257923 | .00099800 |
| 7 | 5d | 1.202321 | -.03332077 |
| 8 | 3d | 18.738693 | .00018906 |
| ORB.ENERGY,a.u. | -1.016700 | ||
| NORM | .999999 | < R > | 4.725064 | < R2 > | 25.391153 | < 1/R > | .298918 | < 1/R**2 > | .193776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.127481 | 1.17797945 |
| 2 | 3p | 5.956498 | -.24836343 |
| 3 | 2p | 11.520288 | .06796593 |
| 4 | 4p | 13.503840 | .01260089 |
| 5 | 5p | 35.371146 | -.00014102 |
| 6 | 5p | .934684 | .00003229 |
| 7 | 4p | 4.671175 | -.00170942 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .440996 | < R2 > | .238655 | < 1/R > | 2.912851 | < 1/R**2 > | 11.694350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.021595 | .38719049 |
| 2 | 2s | 6.247522 | -.85322849 |
| 3 | 3s | 5.588203 | -.30221495 |
| 4 | 4s | 17.002679 | .00787808 |
| 5 | 3s | 19.338874 | .00586740 |
| 6 | 5s | 30.964535 | .00068857 |
| 7 | 5s | 6.549490 | .00985676 |
| 8 | 3s | 47.591499 | -.00006891 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489519 | < R2 > | .282393 | < 1/R > | 2.983981 | < 1/R**2 > | 36.418911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279734 |
| 2 | 1s | 20.929104 | .07367266 |
| 3 | 2s | 8.784717 | .02035293 |
| 4 | 3s | 10.789900 | -.02029571 |
| 5 | 4s | 13.364450 | .00939290 |
| 6 | 5s | 35.995588 | .00085901 |
| 7 | 4s | 85.190994 | -.00003414 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597149 | < 1/R**2 > | 429.676548 |
Total Energy= -317.70273633 a.u.
Kinetic Energy= 317.70456093 a.u.
Potential Energy= -635.40729725 a.u.
Virial Ratio = -1.99999426