(1s 2 2s 2 2p 4 5s 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 8.760897 | .02784883 |
| 2 | 2s | 2.884016 | -.11216206 |
| 3 | 3s | 1.095093 | .58038622 |
| 4 | 4s | .650751 | -1.69911107 |
| 5 | 5s | .514953 | 1.83834524 |
| 6 | 5s | 8.405001 | -.00839881 |
| 7 | 4s | 10.724488 | -.00377572 |
| 8 | 5s | 40.029142 | -.00003202 |
| ORB.ENERGY,a.u. | -.122910 | ||
| NORM | 1.000005 | < R > | 12.250255 | < R2 > | 168.251100 | < 1/R > | .113796 | < 1/R**2 > | .124013 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.642891 | .66841873 |
| 2 | 2p | 4.482470 | .37555558 |
| 3 | 2p | 11.058736 | .01104642 |
| 4 | 3p | 1.893717 | .03585100 |
| 5 | 4p | 6.576604 | -.02980114 |
| 6 | 4p | 1.841058 | -.00958782 |
| 7 | 5p | 22.887188 | -.00016971 |
| ORB.ENERGY,a.u. | -2.141900 | ||
| NORM | 1.000000 | < R > | .804980 | < R2 > | .813482 | < 1/R > | 1.638078 | < 1/R**2 > | 3.808344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.654917 | .29949864 |
| 2 | 2s | 3.743718 | -.81729764 |
| 3 | 3s | 3.057483 | -.30135724 |
| 4 | 4s | 12.432237 | .02213508 |
| 5 | 3s | 15.623442 | .01426561 |
| 6 | 5s | .611888 | -.04287947 |
| 7 | 4s | .530441 | .08350457 |
| 8 | 2s | 22.887568 | .00175845 |
| 9 | 3s | .426967 | -.04206229 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828623 | < R2 > | .820443 | < 1/R > | 1.746230 | < 1/R**2 > | 12.532679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241811 | .89823509 |
| 2 | 1s | 13.946784 | .09864076 |
| 3 | 1s | 12.415054 | .00047986 |
| 4 | 2s | 6.887952 | .01561768 |
| 5 | 3s | 10.740961 | -.00730759 |
| 6 | 4s | 18.586608 | .00283931 |
| 7 | 5s | 61.295024 | -.00003568 |
| 8 | 5s | 5.033687 | .00050513 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033371 | < 1/R > | 9.624176 | < 1/R**2 > | 187.373554 |
Total Energy= -126.49407378 a.u.
Kinetic Energy= 126.49496924 a.u.
Potential Energy= -252.98904301 a.u.
Virial Ratio = -1.99999292