(1s 2 2s 2 2p 4 5d 1 ) 4 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 2.212745 | 1.18062567 |
| 2 | 4d | 1.625261 | -5.02342230 |
| 3 | 5d | 1.618363 | 4.60035082 |
| 4 | 3d | 5.340286 | .06150316 |
| 5 | 5d | 7.966260 | -.01379278 |
| 6 | 4d | 17.309084 | .00032313 |
| 7 | 5d | 1.273050 | -.01730780 |
| 8 | 3d | 23.457330 | .00008071 |
| ORB.ENERGY,a.u. | -1.320800 | ||
| NORM | 1.000003 | < R > | 4.158906 | < R2 > | 19.666351 | < 1/R > | .338840 | < 1/R**2 > | .246860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.574522 | 1.14700172 |
| 2 | 3p | 6.356670 | -.22492339 |
| 3 | 2p | 12.080254 | .07460437 |
| 4 | 4p | 14.200812 | .01282813 |
| 5 | 5p | 39.663836 | -.00012973 |
| 6 | 5p | 5.320331 | -.00141491 |
| ORB.ENERGY,a.u. | -13.508000 | ||
| NORM | 1.000000 | < R > | .404814 | < R2 > | .200694 | < 1/R > | 3.165582 | < 1/R**2 > | 13.772779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.801782 | .39471744 |
| 2 | 2s | 6.770663 | -.84986965 |
| 3 | 3s | 6.249542 | -.29843400 |
| 4 | 4s | 17.630347 | .00948468 |
| 5 | 3s | 21.825820 | .00645400 |
| 6 | 5s | 30.968767 | .00081784 |
| 7 | 5s | 6.101899 | -.00449095 |
| 8 | 2s | 57.317426 | .00004990 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452514 | < R2 > | .241051 | < 1/R > | 3.232957 | < 1/R**2 > | 42.711292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164776 | .91812279 |
| 2 | 1s | 22.011906 | .07851471 |
| 3 | 2s | 9.676000 | .01986981 |
| 4 | 3s | 11.855422 | -.01989875 |
| 5 | 4s | 14.425202 | .00893416 |
| 6 | 5s | 38.940629 | .00083085 |
| 7 | 4s | 94.628492 | -.00002733 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593582 | < 1/R**2 > | 490.124367 |
Total Energy= -366.58618589 a.u.
Kinetic Energy= 366.58266684 a.u.
Potential Energy= -733.16885274 a.u.
Virial Ratio = -2.00000960