(1s 2 2s 2 2p 4 5s 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 9.051871 | .02268120 |
| 2 | 2s | 2.582622 | -.10092604 |
| 3 | 3s | 1.045251 | .62444475 |
| 4 | 4s | .634972 | -1.80113428 |
| 5 | 5s | .508247 | 1.90327951 |
| 6 | 5s | 8.124003 | -.00989891 |
| 7 | 4s | 10.711968 | -.00563268 |
| 8 | 5s | 34.362493 | -.00009015 |
| ORB.ENERGY,a.u. | -.120550 | ||
| NORM | 1.000000 | < R > | 12.487531 | < R2 > | 174.806758 | < 1/R > | .109619 | < 1/R**2 > | .095055 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.644179 | .67066001 |
| 2 | 2p | 4.494143 | .37313131 |
| 3 | 2p | 11.078138 | .01091454 |
| 4 | 3p | 1.917860 | .03458102 |
| 5 | 4p | 6.595761 | -.02916730 |
| 6 | 4p | 1.878415 | -.00853897 |
| 7 | 5p | 22.890829 | -.00017244 |
| ORB.ENERGY,a.u. | -2.139500 | ||
| NORM | 1.000000 | < R > | .804875 | < R2 > | .813186 | < 1/R > | 1.638166 | < 1/R**2 > | 3.808602 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.427605 | .31189004 |
| 2 | 2s | 3.771265 | -.80845006 |
| 3 | 3s | 3.080069 | -.31330590 |
| 4 | 4s | 12.725189 | .01689532 |
| 5 | 3s | 16.257119 | .00733925 |
| 6 | 5s | .729323 | -.01701211 |
| 7 | 4s | .523113 | .01752481 |
| 8 | 2s | 30.006565 | .00032379 |
| 9 | 5s | 71.247670 | .00001277 |
| 10 | 3s | .187210 | .00033644 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .827952 | < R2 > | .820162 | < 1/R > | 1.747435 | < 1/R**2 > | 12.547478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241789 | .89618445 |
| 2 | 1s | 13.951973 | .09880462 |
| 3 | 1s | 9.278302 | .00237380 |
| 4 | 2s | 6.940003 | .01552691 |
| 5 | 3s | 10.820677 | -.00726061 |
| 6 | 4s | 18.655445 | .00281302 |
| 7 | 5s | 60.451674 | -.00003659 |
| 8 | 5s | 5.507182 | .00056347 |
| 9 | 5s | .290970 | -.00015350 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157457 | < R2 > | .033382 | < 1/R > | 9.624096 | < 1/R**2 > | 187.371247 |
Total Energy= -126.49399770 a.u.
Kinetic Energy= 126.49261242 a.u.
Potential Energy= -252.98661011 a.u.
Virial Ratio = -2.00001095