(1s 2 2s 2 2p 2 4d 1 ) 4 F Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 1.341050 | 1.07882232 |
| 2 | 4d | 1.002782 | -1.50785818 |
| 3 | 3d | 3.972741 | .03436828 |
| 4 | 5d | 2.238228 | -.08061080 |
| 5 | 4d | 8.940128 | -.00050898 |
| 6 | 5d | .846149 | .01731421 |
| ORB.ENERGY,a.u. | -.528390 | ||
| NORM | 1.000001 | < R > | 4.898035 | < R2 > | 27.609118 | < 1/R > | .276687 | < 1/R**2 > | .132421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.238139 | .79676834 |
| 2 | 2p | 5.175443 | .21638876 |
| 3 | 2p | 10.408855 | .01207141 |
| 4 | 3p | 1.703097 | .00877407 |
| 5 | 4p | 1.524125 | -.00655565 |
| 6 | 5p | 21.979192 | -.00071655 |
| 7 | 5p | 1.494516 | .00157572 |
| 8 | 4p | 32.042986 | -.00011784 |
| ORB.ENERGY,a.u. | -4.340100 | ||
| NORM | 1.000000 | < R > | .701800 | < R2 > | .604149 | < 1/R > | 1.830438 | < 1/R**2 > | 4.624486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.185682 | .35188270 |
| 2 | 2s | 3.944045 | -.84031300 |
| 3 | 3s | 3.652164 | -.27927340 |
| 4 | 4s | 11.757239 | .01391855 |
| 5 | 3s | 12.812311 | .00873063 |
| 6 | 5s | 3.568470 | -.01185738 |
| 7 | 5s | 23.948175 | .00065189 |
| 8 | 3s | 1.823778 | .00077280 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767695 | < R2 > | .695036 | < 1/R > | 1.884733 | < 1/R**2 > | 14.464459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709682 | .61347369 |
| 2 | 1s | 13.271622 | .30150669 |
| 3 | 1s | 5.739409 | .00694018 |
| 4 | 2s | 10.366621 | .13445354 |
| 5 | 3s | 10.767072 | -.04345365 |
| 6 | 4s | 18.409470 | .00288304 |
| 7 | 5s | 60.970848 | -.00004030 |
| 8 | 5s | 5.694406 | .00026041 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156988 | < R2 > | .033123 | < 1/R > | 9.641487 | < 1/R**2 > | 187.885922 |
Total Energy= -121.06293164 a.u.
Kinetic Energy= 121.07198422 a.u.
Potential Energy= -242.13491586 a.u.
Virial Ratio = -1.99992523