(1s 2 2s 2 2p 2 4d 1 ) 2 F P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 2.580743 | 1.35322259 |
| 2 | 4d | 2.244167 | -1.87063323 |
| 3 | 5d | 8.357328 | -.01110168 |
| 4 | 3d | 5.707784 | .04415504 |
| 5 | 4d | 16.340364 | .00026247 |
| 6 | 5d | 2.037092 | .01225393 |
| 7 | 3d | 20.776357 | .00013696 |
| ORB.ENERGY,a.u. | -2.582000 | ||
| NORM | 1.000000 | < R > | 2.274673 | < R2 > | 5.931805 | < 1/R > | .584512 | < 1/R**2 > | .563082 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.810388 | 1.14594528 |
| 2 | 3p | 6.823374 | -.17033529 |
| 3 | 2p | 14.749725 | .02007397 |
| 4 | 4p | 17.279307 | .00862796 |
| 5 | 5p | 24.038193 | -.00194450 |
| 6 | 5p | 3.220257 | .00042401 |
| 7 | 4p | 63.235576 | .00004806 |
| ORB.ENERGY,a.u. | -14.957000 | ||
| NORM | 1.000000 | < R > | .409580 | < R2 > | .203826 | < 1/R > | 3.099684 | < 1/R**2 > | 13.068181 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924606 | .41145949 |
| 2 | 2s | 6.451477 | -.85427909 |
| 3 | 3s | 6.614326 | -.28050046 |
| 4 | 4s | 25.058720 | .00210880 |
| 5 | 3s | 14.219859 | .01681422 |
| 6 | 5s | 6.645305 | -.02736252 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467452 | < R2 > | .256247 | < 1/R > | 3.132229 | < 1/R**2 > | 39.838657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110172 | .92170685 |
| 2 | 1s | 21.588896 | .07719329 |
| 3 | 2s | 13.466121 | .01932328 |
| 4 | 3s | 16.733157 | -.01553584 |
| 5 | 5s | 35.649939 | .00099105 |
| 6 | 4s | 86.748399 | -.00003349 |
| 7 | 5s | 11.516609 | .00052681 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628537 | < 1/R**2 > | 431.106433 |
Total Energy= -294.31107771 a.u.
Kinetic Energy= 294.27696785 a.u.
Potential Energy= -588.58804556 a.u.
Virial Ratio = -2.00011591