(1s 2 2s 2 2p 5 5d 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 1.693613 | 1.07540655 |
| 2 | 4d | 1.291305 | -3.91889097 |
| 3 | 5d | 1.217183 | 3.56352271 |
| 4 | 3d | 3.567909 | .09041789 |
| 5 | 5d | 5.263392 | -.02010233 |
| 6 | 4d | 9.829505 | .00530219 |
| 7 | 5d | 1.068154 | -.05513892 |
| 8 | 3d | 13.267949 | .00102448 |
| ORB.ENERGY,a.u. | -.752610 | ||
| NORM | 1.000004 | < R > | 5.466391 | < R2 > | 34.002398 | < 1/R > | .259639 | < 1/R**2 > | .148659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.860101 | 1.22624004 |
| 2 | 3p | 5.741995 | -.30470957 |
| 3 | 2p | 11.238624 | .07676612 |
| 4 | 5p | 34.797920 | -.00013254 |
| 5 | 4p | 13.444237 | .01274810 |
| 6 | 5p | 3.452335 | .00024001 |
| ORB.ENERGY,a.u. | -9.358600 | ||
| NORM | 1.000000 | < R > | .459283 | < R2 > | .260547 | < 1/R > | 2.817688 | < 1/R**2 > | 11.030831 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.138826 | .37233346 |
| 2 | 2s | 6.146986 | -.83427495 |
| 3 | 3s | 5.431541 | -.30274318 |
| 4 | 4s | 18.327772 | .00430111 |
| 5 | 3s | 17.453270 | .00671281 |
| 6 | 5s | 36.175014 | .00044224 |
| 7 | 5s | 5.137610 | -.00266487 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501316 | < R2 > | .297083 | < 1/R > | 2.911757 | < 1/R**2 > | 34.800563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92330031 |
| 2 | 1s | 20.989262 | .07299214 |
| 3 | 2s | 8.544585 | .02100736 |
| 4 | 3s | 10.657404 | -.02130365 |
| 5 | 4s | 13.404885 | .01067555 |
| 6 | 5s | 35.699764 | .00079960 |
| 7 | 4s | 81.419255 | -.00004034 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103671 | < R2 > | .014442 | < 1/R > | 14.585268 | < 1/R**2 > | 429.139063 |
Total Energy= -327.06281027 a.u.
Kinetic Energy= 327.06887418 a.u.
Potential Energy= -654.13168445 a.u.
Virial Ratio = -1.99998146