(1s 2 2s 2 2p 4 4s 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 9.617292 | .03138747 |
| 2 | 2s | 1.025309 | -.67254332 |
| 3 | 3s | 1.158723 | 1.62549208 |
| 4 | 4s | .687005 | -1.27347517 |
| 5 | 5s | 1.682589 | -.22920576 |
| 6 | 4s | 6.192866 | -.11937403 |
| 7 | 5s | 7.233360 | .05959371 |
| 8 | 4s | 13.708196 | -.00514440 |
| 9 | 5s | 31.166828 | -.00048671 |
| 10 | 4s | 46.529271 | -.00011075 |
| ORB.ENERGY,a.u. | -.212470 | ||
| NORM | 1.000001 | < R > | 7.117351 | < R2 > | 57.059581 | < 1/R > | .186738 | < 1/R**2 > | .218296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.644346 | .66907521 |
| 2 | 2p | 4.487336 | .37411274 |
| 3 | 2p | 11.063178 | .01099632 |
| 4 | 3p | 1.930410 | .03566287 |
| 5 | 4p | 6.584336 | -.02968223 |
| 6 | 4p | 1.887804 | -.00835317 |
| 7 | 5p | 22.957724 | -.00017429 |
| ORB.ENERGY,a.u. | -2.053800 | ||
| NORM | 1.000000 | < R > | .805372 | < R2 > | .814330 | < 1/R > | 1.637403 | < 1/R**2 > | 3.805569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.305499 | .31895821 |
| 2 | 2s | 3.752120 | -.82109786 |
| 3 | 3s | 3.040718 | -.30405544 |
| 4 | 4s | 12.887209 | .01327372 |
| 5 | 3s | 17.239553 | .00477697 |
| 6 | 5s | 2.892875 | .00346438 |
| 7 | 4s | .697806 | -.02124951 |
| 8 | 3s | 21.521152 | -.00128071 |
| 9 | 3s | .613053 | .01600775 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .827367 | < R2 > | .818079 | < 1/R > | 1.748413 | < 1/R**2 > | 12.559605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.249150 | .89712615 |
| 2 | 1s | 13.939289 | .09781690 |
| 3 | 1s | 12.387522 | .00157257 |
| 4 | 2s | 7.235733 | .01524149 |
| 5 | 3s | 11.685776 | -.00689481 |
| 6 | 4s | 18.821992 | .00352836 |
| 7 | 5s | 73.766293 | -.00001097 |
| 8 | 5s | 6.333315 | .00091453 |
| 9 | 5s | .588430 | .00026979 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157458 | < R2 > | .033380 | < 1/R > | 9.624033 | < 1/R**2 > | 187.369243 |
Total Energy= -126.58772718 a.u.
Kinetic Energy= 126.58445384 a.u.
Potential Energy= -253.17218102 a.u.
Virial Ratio = -2.00002586