(1s 2 2s 2 2p 4 5s 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 7.614751 | .01743115 |
| 2 | 2s | 3.462352 | -.03971859 |
| 3 | 3s | .852376 | .28273543 |
| 4 | 4s | .392662 | -2.11453561 |
| 5 | 5s | .270176 | .87975484 |
| 6 | 5s | 3.861926 | -.01909116 |
| 7 | 4s | 5.491910 | -.01416622 |
| 8 | 3s | .256440 | 1.55286300 |
| 9 | 5s | 10.987317 | -.00072427 |
| 10 | 4s | .189436 | -.03849371 |
| ORB.ENERGY,a.u. | -.035498 | ||
| NORM | 1.000006 | < R > | 21.188033 | < R2 > | 504.659461 | < 1/R > | .065416 | < 1/R**2 > | .038011 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212662 | .67431741 |
| 2 | 2p | 3.950059 | .31747092 |
| 3 | 2p | 9.750185 | .01601943 |
| 4 | 3p | 1.542836 | .05821833 |
| 5 | 4p | 9.505895 | .01334123 |
| 6 | 4p | .925064 | -.04318037 |
| 7 | 3p | 12.600167 | .00299890 |
| 8 | 5p | 1.033952 | .03504112 |
| ORB.ENERGY,a.u. | -1.138100 | ||
| NORM | 1.000000 | < R > | .970242 | < R2 > | 1.196436 | < 1/R > | 1.377511 | < 1/R**2 > | 2.731165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.537686 | .29964543 |
| 2 | 2s | 3.338128 | -.78090507 |
| 3 | 3s | 2.615101 | -.34253871 |
| 4 | 4s | 10.939758 | .01207817 |
| 5 | 3s | 12.016897 | .00840869 |
| 6 | 5s | .517247 | .00270143 |
| 7 | 4s | 1.654772 | -.00365838 |
| 8 | 5s | 39.504301 | -.00003942 |
| 9 | 3s | .191043 | -.00325539 |
| 10 | 2s | 42.210832 | .00001731 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961251 | < R2 > | 1.111979 | < 1/R > | 1.503130 | < 1/R**2 > | 9.294180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.232033 | .87226204 |
| 2 | 1s | 12.229091 | .12121430 |
| 3 | 1s | 9.886018 | .00236014 |
| 4 | 2s | 5.982007 | .01823415 |
| 5 | 3s | 8.162183 | -.00763631 |
| 6 | 4s | 17.130954 | .00292604 |
| 7 | 5s | 51.737945 | -.00004177 |
| 8 | 5s | 4.067684 | .00042937 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175669 | < R2 > | .041563 | < 1/R > | 8.632461 | < 1/R**2 > | 150.887529 |
Total Energy= -98.86685876 a.u.
Kinetic Energy= 98.86720728 a.u.
Potential Energy= -197.73406603 a.u.
Virial Ratio = -1.99999647