(1s 2 2s 2 2p 1 5d 1 ) 1 F Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.221272 | 1.83500006 |
| 2 | 4d | 1.086892 | -4.37205578 |
| 3 | 5d | .969617 | 3.38158848 |
| 4 | 3d | 5.143830 | .00830966 |
| 5 | 4d | .674263 | -.19811878 |
| 6 | 5d | 2.787592 | -.00957707 |
| 7 | 5d | .640377 | .04219088 |
| 8 | 4d | 11.319711 | -.00023039 |
| ORB.ENERGY,a.u. | -.502070 | ||
| NORM | 1.000007 | < R > | 6.855229 | < R2 > | 53.395735 | < 1/R > | .203576 | < 1/R**2 > | .085511 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.540603 | .86403273 |
| 2 | 2p | 5.567377 | .14973513 |
| 3 | 2p | 11.558805 | .00784611 |
| 4 | 3p | 2.374168 | -.00775547 |
| 5 | 4p | 2.473524 | .00688312 |
| 6 | 4p | 17.827733 | -.00063327 |
| 7 | 5p | .725589 | -.00021787 |
| ORB.ENERGY,a.u. | -5.567300 | ||
| NORM | 1.000000 | < R > | .661597 | < R2 > | .532906 | < 1/R > | 1.924653 | < 1/R**2 > | 5.061951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.895927 | .32344605 |
| 2 | 2s | 3.357308 | -.79332606 |
| 3 | 3s | 5.250594 | -.27176175 |
| 4 | 4s | 18.241898 | .00222817 |
| 5 | 5s | 10.346496 | -.01560766 |
| 6 | 5s | 3.805160 | .02332936 |
| 7 | 4s | 37.746705 | .00003774 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738852 | < R2 > | .640842 | < 1/R > | 1.961318 | < 1/R**2 > | 15.588077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.576832 | .00040008 |
| 2 | 1s | 9.271170 | .89166016 |
| 3 | 1s | 13.711578 | .10449651 |
| 4 | 2s | 7.500720 | .01482662 |
| 5 | 3s | 10.872179 | -.00733782 |
| 6 | 4s | 18.677533 | .00416828 |
| 7 | 5s | 10.297480 | -.00181838 |
| 8 | 5s | 36.912090 | .00007833 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156628 | < R2 > | .032936 | < 1/R > | 9.655298 | < 1/R**2 > | 188.298773 |
Total Energy= -116.42540826 a.u.
Kinetic Energy= 116.41291076 a.u.
Potential Energy= -232.83831901 a.u.
Virial Ratio = -2.00010735