(1s 2 2s 2 2p 1 4d 1 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.556692 | 1.08860003 |
| 2 | 4d | 1.263205 | -1.62797847 |
| 3 | 3d | 3.300396 | .07668066 |
| 4 | 5d | 4.975258 | -.01315076 |
| 5 | 4d | 17.552581 | .00012322 |
| 6 | 5d | 1.064585 | .00912647 |
| 7 | 5d | 57.487009 | .00000693 |
| ORB.ENERGY,a.u. | -.821450 | ||
| NORM | 1.000001 | < R > | 3.958185 | < R2 > | 17.976755 | < 1/R > | .338217 | < 1/R**2 > | .192697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.616280 | .71059968 |
| 2 | 2p | 4.742623 | .27989177 |
| 3 | 2p | 11.797051 | .00699353 |
| 4 | 3p | 5.645096 | -.03457557 |
| 5 | 4p | 4.171139 | .05636541 |
| 6 | 4p | 17.412217 | -.00064573 |
| 7 | 5p | 2.242050 | -.00687094 |
| 8 | 3p | 1.957557 | .01307076 |
| ORB.ENERGY,a.u. | -5.467200 | ||
| NORM | 1.000000 | < R > | .664502 | < R2 > | .537852 | < 1/R > | 1.917620 | < 1/R**2 > | 5.029265 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.899643 | .32292566 |
| 2 | 2s | 3.351371 | -.79337402 |
| 3 | 3s | 5.264504 | -.27111690 |
| 4 | 4s | 18.242471 | .00225915 |
| 5 | 5s | 10.328144 | -.01546581 |
| 6 | 5s | 3.778483 | .02248051 |
| 7 | 4s | 38.289029 | .00003719 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739603 | < R2 > | .642292 | < 1/R > | 1.959400 | < 1/R**2 > | 15.559586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.671889 | .00047800 |
| 2 | 1s | 9.271486 | .89162693 |
| 3 | 1s | 13.711327 | .10448877 |
| 4 | 2s | 7.515298 | .01476411 |
| 5 | 3s | 10.880344 | -.00732850 |
| 6 | 4s | 18.680516 | .00417580 |
| 7 | 5s | 10.305506 | -.00181546 |
| 8 | 5s | 37.035379 | .00007746 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156624 | < R2 > | .032934 | < 1/R > | 9.655455 | < 1/R**2 > | 188.303727 |
Total Energy= -116.72073051 a.u.
Kinetic Energy= 116.73231654 a.u.
Potential Energy= -233.45304705 a.u.
Virial Ratio = -1.99990075