(1s 2 2s 2 2p 4 3p 1 ) 4 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 3p | 1.002276 | -.95279550 |
| 2 | 2p | 2.516729 | .22349232 |
| 3 | 2p | 6.343206 | .04047464 |
| 4 | 4p | 7.833061 | .00951280 |
| 5 | 5p | .975425 | -.09971502 |
| 6 | 5p | 4.258119 | -.02803675 |
| ORB.ENERGY,a.u. | -.364010 | ||
| NORM | 1.000000 | < R > | 3.735669 | < R2 > | 15.999063 | < 1/R > | .342294 | < 1/R**2 > | .250267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.657661 | .68817890 |
| 2 | 2p | 4.552541 | .35594170 |
| 3 | 2p | 11.110025 | .01057944 |
| 4 | 3p | 1.428302 | .04989893 |
| 5 | 4p | 6.630638 | -.02646470 |
| 6 | 5p | 1.809444 | -.02666266 |
| 7 | 5p | 22.936339 | -.00017127 |
| ORB.ENERGY,a.u. | -1.900800 | ||
| NORM | 1.000000 | < R > | .806778 | < R2 > | .818248 | < 1/R > | 1.635842 | < 1/R**2 > | 3.800030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.316549 | .31756489 |
| 2 | 2s | 3.733524 | -.82565507 |
| 3 | 3s | 3.015611 | -.30023913 |
| 4 | 4s | 12.801492 | .01178455 |
| 5 | 3s | 14.274325 | .00450274 |
| 6 | 5s | 26.955982 | .00030291 |
| 7 | 5s | 1.995023 | -.00929864 |
| 8 | 3s | 1.570230 | .01263975 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .829666 | < R2 > | .821786 | < 1/R > | 1.744046 | < 1/R**2 > | 12.503497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241570 | .89836776 |
| 2 | 1s | 13.942524 | .09841563 |
| 3 | 1s | 14.551174 | .00056085 |
| 4 | 2s | 6.912450 | .01556515 |
| 5 | 3s | 10.822430 | -.00725454 |
| 6 | 4s | 18.619023 | .00284792 |
| 7 | 5s | 61.087939 | -.00003528 |
| 8 | 5s | 5.305538 | .00053283 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157465 | < R2 > | .033377 | < 1/R > | 9.623734 | < 1/R**2 > | 187.360463 |
Total Energy= -126.73053026 a.u.
Kinetic Energy= 126.73610683 a.u.
Potential Energy= -253.46663710 a.u.
Virial Ratio = -1.99995600