(1s 2 2s 2 2p 4 5d 1 ) 4 P F 0
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 | .225328 | 2.31408564 |
| 2 | 4d | .197747 | -7.29739526 |
| 3 | 5d | .198102 | 6.03200078 |
| 4 | 3d | 2.630763 | .00217062 |
| 5 | 4d | .171830 | -.16242805 |
| 6 | 5d | 2.169679 | .00178581 |
| 7 | 5d | .176281 | -.10982971 |
| ORB.ENERGY,a.u. | -.019952 | ||
| NORM | .999980 | < R > | 34.563072 | < R2 > | 1355.502450 | < 1/R > | .040067 | < 1/R**2 > | .003260 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212791 | .67436792 |
| 2 | 2p | 3.946235 | .31700136 |
| 3 | 2p | 9.764463 | .01610396 |
| 4 | 3p | 1.539199 | .05839214 |
| 5 | 4p | 9.450582 | .01375593 |
| 6 | 4p | .938910 | -.04479748 |
| 7 | 3p | 12.435647 | .00324268 |
| 8 | 5p | 1.046040 | .03611253 |
| ORB.ENERGY,a.u. | -1.160100 | ||
| NORM | 1.000000 | < R > | .969873 | < R2 > | 1.195297 | < 1/R > | 1.377833 | < 1/R**2 > | 2.732177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.474968 | .30345732 |
| 2 | 2s | 3.284885 | -.83700569 |
| 3 | 3s | 2.609589 | -.31953337 |
| 4 | 4s | 4.845342 | .03029181 |
| 5 | 3s | 8.650495 | .02627053 |
| 6 | 5s | 18.326599 | .00086267 |
| 7 | 5s | 2.306720 | -.00556402 |
| 8 | 3s | 30.046469 | -.00007440 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960927 | < R2 > | 1.108625 | < 1/R > | 1.503339 | < 1/R**2 > | 9.296161 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230637 | .87156346 |
| 2 | 1s | 12.228580 | .12114866 |
| 3 | 1s | 9.993297 | .00310837 |
| 4 | 2s | 6.010093 | .01817556 |
| 5 | 3s | 8.211964 | -.00759631 |
| 6 | 4s | 17.133849 | .00294684 |
| 7 | 5s | 51.559839 | -.00004119 |
| 8 | 5s | 4.205676 | .00045250 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632444 | < 1/R**2 > | 150.887125 |
Total Energy= -98.85204494 a.u.
Kinetic Energy= 98.85166495 a.u.
Potential Energy= -197.70370988 a.u.
Virial Ratio = -2.00000384