(1s 2 2s 2 2p 4 5p 1 ) 4 S Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 3.061002 | .06876145 |
| 2 | 3p | .830235 | -.73832049 |
| 3 | 4p | .524488 | 2.49295591 |
| 4 | 5p | .461332 | -2.48360264 |
| 5 | 2p | 6.024639 | .01337530 |
| 6 | 5p | 3.222957 | .01603401 |
| 7 | 3p | 10.284050 | -.00077117 |
| ORB.ENERGY,a.u. | -.102580 | ||
| NORM | 1.000005 | < R > | 14.174560 | < R2 > | 226.125976 | < 1/R > | .098353 | < 1/R**2 > | .034682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.656446 | .68375592 |
| 2 | 2p | 4.527708 | .36203421 |
| 3 | 2p | 11.227729 | .01045403 |
| 4 | 3p | 1.809744 | .03126908 |
| 5 | 4p | 6.538606 | -.02879770 |
| 6 | 4p | 1.313302 | -.01619107 |
| 7 | 5p | 1.318720 | .00954888 |
| 8 | 5p | .336505 | -.00084405 |
| 9 | 5p | 57.125242 | .00001444 |
| ORB.ENERGY,a.u. | -2.148900 | ||
| NORM | 1.000000 | < R > | .804575 | < R2 > | .812661 | < 1/R > | 1.638620 | < 1/R**2 > | 3.810366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311943 | .31824020 |
| 2 | 2s | 3.738179 | -.82645607 |
| 3 | 3s | 3.008318 | -.30171700 |
| 4 | 4s | 12.784460 | .01218340 |
| 5 | 3s | 14.485105 | .00433524 |
| 6 | 5s | 26.675812 | .00032793 |
| 7 | 5s | 2.081405 | -.02669529 |
| 8 | 4s | 1.865150 | .03274286 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828406 | < R2 > | .818851 | < 1/R > | 1.746352 | < 1/R**2 > | 12.533572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241852 | .89830863 |
| 2 | 1s | 13.941554 | .09840282 |
| 3 | 1s | 14.243040 | .00062836 |
| 4 | 2s | 6.902625 | .01561023 |
| 5 | 3s | 10.770110 | -.00729789 |
| 6 | 4s | 18.596218 | .00284473 |
| 7 | 5s | 61.300525 | -.00003545 |
| 8 | 5s | 5.198934 | .00051753 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157457 | < R2 > | .033373 | < 1/R > | 9.624075 | < 1/R**2 > | 187.370679 |
Total Energy= -126.47590520 a.u.
Kinetic Energy= 126.47470188 a.u.
Potential Energy= -252.95060708 a.u.
Virial Ratio = -2.00000951