(1s 2 2s 2 2p 2 5d 1 ) 4 F Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 1.040424 | 1.44241051 |
| 2 | 4d | .941006 | -3.34289316 |
| 3 | 5d | .788661 | 2.58180402 |
| 4 | 3d | 3.461978 | .04602655 |
| 5 | 4d | .504128 | -.11467098 |
| 6 | 5d | 3.022505 | .03129367 |
| 7 | 5d | .482775 | .03139092 |
| 8 | 4d | 26.783274 | .00001225 |
| ORB.ENERGY,a.u. | -.334860 | ||
| NORM | .999997 | < R > | 8.189601 | < R2 > | 76.315723 | < 1/R > | .173290 | < 1/R**2 > | .066244 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.228315 | .83019711 |
| 2 | 2p | 5.373395 | .20024918 |
| 3 | 2p | 11.580654 | .00777533 |
| 4 | 3p | 1.501717 | .01459756 |
| 5 | 4p | 3.631142 | -.01759740 |
| 6 | 5p | 23.368805 | -.00023404 |
| 7 | 5p | 1.944419 | -.01034645 |
| 8 | 4p | 78.207394 | .00000173 |
| ORB.ENERGY,a.u. | -4.447500 | ||
| NORM | 1.000000 | < R > | .700660 | < R2 > | .601883 | < 1/R > | 1.832568 | < 1/R**2 > | 4.633407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.186015 | .35206632 |
| 2 | 2s | 3.941839 | -.84188103 |
| 3 | 3s | 3.644608 | -.27979226 |
| 4 | 4s | 11.821671 | .01467508 |
| 5 | 3s | 13.160494 | .00797190 |
| 6 | 5s | 3.515596 | -.01027662 |
| 7 | 5s | 23.862325 | .00067165 |
| 8 | 3s | 2.239615 | .00189357 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767166 | < R2 > | .693925 | < 1/R > | 1.885868 | < 1/R**2 > | 14.480222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709466 | .61347483 |
| 2 | 1s | 13.271788 | .30150666 |
| 3 | 1s | 5.741014 | .00693926 |
| 4 | 2s | 10.366733 | .13445328 |
| 5 | 3s | 10.767921 | -.04344929 |
| 6 | 4s | 18.411789 | .00288232 |
| 7 | 5s | 60.962063 | -.00004030 |
| 8 | 5s | 5.706456 | .00025964 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156990 | < R2 > | .033124 | < 1/R > | 9.641399 | < 1/R**2 > | 187.883182 |
Total Energy= -120.87419126 a.u.
Kinetic Energy= 120.87842985 a.u.
Potential Energy= -241.75262111 a.u.
Virial Ratio = -1.99996494