(1s 1 4d 1 ) 3 D N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 1.782207 | 1.25097398 |
| 2 | 4d | 1.477768 | -1.85846207 |
| 3 | 5d | 2.106139 | .15981493 |
| 4 | 4d | 4.578758 | -.00787713 |
| 5 | 5d | 11.342737 | .00017748 |
| 6 | 5d | 11.300380 | -.00039985 |
| ORB.ENERGY,a.u. | -1.141700 | ||
| NORM | .999999 | < R > | 3.497314 | < R2 > | 13.980464 | < 1/R > | .375507 | < 1/R**2 > | .225952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.880656 | .75764122 |
| 2 | 1s | 7.102356 | .25597507 |
| 3 | 2s | 6.930626 | -.01555326 |
| 4 | 3s | 6.793395 | -.00025830 |
| 5 | 4s | 6.044124 | .00014486 |
| ORB.ENERGY,a.u. | -24.110000 |
| NORM | 1.000000 | < R > | .214305 | < R2 > | .061239 | < 1/R > | 6.999652 | < 1/R**2 > | 97.992776 |
Total Energy= -25.62997056 a.u.
Kinetic Energy= 25.62561398 a.u.
Potential Energy= -51.25558453 a.u.
Virial Ratio = -2.00017001