(1s 2 2s 2 2p 1 3d 1 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 1.807924 | .87818641 |
| 2 | 4d | 9.616506 | -.00090331 |
| 3 | 3d | 4.001690 | .06361344 |
| 4 | 4d | 1.694964 | .06525884 |
| 5 | 5d | 3.738198 | .02752646 |
| ORB.ENERGY,a.u. | -1.483500 | ||
| NORM | 1.000000 | < R > | 1.905763 | < R2 > | 4.203742 | < 1/R > | .623278 | < 1/R**2 > | .478266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.537992 | .86006878 |
| 2 | 2p | 5.333059 | .16720370 |
| 3 | 2p | 11.979122 | .00650910 |
| 4 | 3p | 5.518663 | -.02541349 |
| 5 | 4p | 3.027355 | .01582556 |
| 6 | 4p | 16.895045 | -.00066899 |
| ORB.ENERGY,a.u. | -5.216600 | ||
| NORM | 1.000000 | < R > | .670210 | < R2 > | .548670 | < 1/R > | 1.905737 | < 1/R**2 > | 4.976757 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.815224 | .32667168 |
| 2 | 2s | 3.433698 | -.79487169 |
| 3 | 3s | 5.191956 | -.27608166 |
| 4 | 4s | 14.754089 | .00465145 |
| 5 | 5s | 10.301338 | -.00880832 |
| 6 | 5s | 7.129514 | .00940454 |
| 7 | 4s | 22.070370 | .00082248 |
| 8 | 4s | 2.760793 | .00454705 |
| 9 | 3s | 2.009651 | -.00237034 |
| 10 | 2s | 44.851481 | -.00001428 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .742045 | < R2 > | .647258 | < 1/R > | 1.953764 | < 1/R**2 > | 15.479105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269847 | .89209790 |
| 2 | 1s | 13.729667 | .10422377 |
| 3 | 1s | 2.388531 | .00015479 |
| 4 | 2s | 7.587781 | .01468981 |
| 5 | 3s | 9.842437 | -.00791982 |
| 6 | 4s | 18.050642 | .00343188 |
| 7 | 5s | 9.881188 | -.00033887 |
| 8 | 5s | 29.611174 | .00030807 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156618 | < R2 > | .032931 | < 1/R > | 9.655739 | < 1/R**2 > | 188.312715 |
Total Energy= -117.35997464 a.u.
Kinetic Energy= 117.39444832 a.u.
Potential Energy= -234.75442296 a.u.
Virial Ratio = -1.99970634