(1s 2 2s 2 2p 4 4d 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | .594722 | 1.29937896 |
| 2 | 4d | .490132 | -1.74515335 |
| 3 | 3d | 2.714004 | .02376228 |
| 4 | 5d | 1.162491 | -.03482988 |
| 5 | 4d | 3.483328 | -.00706746 |
| 6 | 5d | .395092 | .01038024 |
| ORB.ENERGY,a.u. | -.126130 | ||
| NORM | .999997 | < R > | 10.333537 | < R2 > | 122.583233 | < 1/R > | .129524 | < 1/R**2 > | .028275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.642269 | .66841403 |
| 2 | 2p | 4.481637 | .37584739 |
| 3 | 2p | 11.043600 | .01110613 |
| 4 | 3p | 1.909257 | .03480690 |
| 5 | 4p | 6.570934 | -.02981683 |
| 6 | 4p | 1.892967 | -.00871096 |
| 7 | 5p | 22.989755 | -.00017121 |
| ORB.ENERGY,a.u. | -2.099800 | ||
| NORM | 1.000000 | < R > | .804788 | < R2 > | .813128 | < 1/R > | 1.638449 | < 1/R**2 > | 3.809933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311274 | .31832673 |
| 2 | 2s | 3.738953 | -.82648652 |
| 3 | 3s | 3.009385 | -.30159478 |
| 4 | 4s | 12.781287 | .01221795 |
| 5 | 3s | 14.499966 | .00432692 |
| 6 | 5s | 26.635863 | .00033103 |
| 7 | 5s | 2.085223 | -.02555721 |
| 8 | 4s | 1.872252 | .03141690 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828315 | < R2 > | .818687 | < 1/R > | 1.746593 | < 1/R**2 > | 12.537023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.240301 | .89712523 |
| 2 | 1s | 13.928802 | .09961590 |
| 3 | 1s | 9.889779 | .00056445 |
| 4 | 2s | 6.918747 | .01556642 |
| 5 | 3s | 10.803415 | -.00728502 |
| 6 | 4s | 18.605207 | .00290542 |
| 7 | 5s | 61.787298 | -.00003301 |
| 8 | 5s | 5.239815 | .00053353 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033372 | < 1/R > | 9.624159 | < 1/R**2 > | 187.373188 |
Total Energy= -126.50001474 a.u.
Kinetic Energy= 126.49823866 a.u.
Potential Energy= -252.99825340 a.u.
Virial Ratio = -2.00001404