(1s 2 2s 2 2p 2 5p 1 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 2.213559 | .19667134 |
| 2 | 3p | 1.218275 | -1.57349673 |
| 3 | 4p | .882360 | 5.24573711 |
| 4 | 5p | .865256 | -4.58363172 |
| 5 | 2p | 5.225407 | .04392920 |
| 6 | 5p | 8.314704 | -.00208254 |
| 7 | 3p | 9.030897 | -.00312520 |
| ORB.ENERGY,a.u. | -.365200 | ||
| NORM | .999999 | < R > | 7.996598 | < R2 > | 71.833463 | < 1/R > | .172584 | < 1/R**2 > | .091941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.313220 | .84637865 |
| 2 | 2p | 5.556616 | .17132111 |
| 3 | 2p | 12.365819 | .00594632 |
| 4 | 3p | .750917 | -.17012688 |
| 5 | 4p | .994348 | .16667068 |
| 6 | 4p | 2.628996 | .01235564 |
| 7 | 3p | 26.422253 | .00007144 |
| ORB.ENERGY,a.u. | -4.437100 | ||
| NORM | 1.000000 | < R > | .699617 | < R2 > | .613230 | < 1/R > | 1.837197 | < 1/R**2 > | 4.652775 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.192951 | .35156367 |
| 2 | 2s | 3.934462 | -.84299379 |
| 3 | 3s | 3.648811 | -.27942756 |
| 4 | 4s | 11.455875 | .01245025 |
| 5 | 3s | 12.715097 | .01112813 |
| 6 | 5s | 3.453103 | -.01816802 |
| 7 | 5s | 37.452952 | -.00023374 |
| 8 | 4s | 2.930233 | .01090768 |
| 9 | 4s | 55.433137 | -.00005860 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767233 | < R2 > | .694016 | < 1/R > | 1.885610 | < 1/R**2 > | 14.476319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709231 | .61340514 |
| 2 | 1s | 13.272230 | .30147037 |
| 3 | 1s | 5.800642 | .00699928 |
| 4 | 2s | 10.366958 | .13444282 |
| 5 | 3s | 10.776254 | -.04339106 |
| 6 | 4s | 18.423342 | .00289678 |
| 7 | 5s | 61.033558 | -.00003963 |
| 8 | 5s | 5.870562 | .00027326 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157000 | < R2 > | .033129 | < 1/R > | 9.641002 | < 1/R**2 > | 187.871083 |
Total Energy= -120.91223146 a.u.
Kinetic Energy= 120.90872874 a.u.
Potential Energy= -241.82096019 a.u.
Virial Ratio = -2.00002897