(1s 2 2s 2 2p 4 5d 1 ) 2 F Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | .512037 | 1.54822952 |
| 2 | 4d | .427045 | -4.36489647 |
| 3 | 5d | .394246 | 3.59415375 |
| 4 | 3d | 2.722569 | .01184009 |
| 5 | 4d | .297724 | -.07881398 |
| 6 | 5d | 2.053114 | .00967537 |
| 7 | 4d | 7.451569 | .00052246 |
| 8 | 5d | 27.014337 | .00002194 |
| ORB.ENERGY,a.u. | -.080907 | ||
| NORM | 1.000008 | < R > | 17.000868 | < R2 > | 328.556644 | < 1/R > | .082591 | < 1/R**2 > | .014503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.641806 | .66834114 |
| 2 | 2p | 4.480738 | .37611062 |
| 3 | 2p | 11.042545 | .01111528 |
| 4 | 3p | 1.912690 | .03464932 |
| 5 | 4p | 6.569406 | -.02987407 |
| 6 | 4p | 1.889710 | -.00891767 |
| 7 | 5p | 22.987975 | -.00017095 |
| ORB.ENERGY,a.u. | -2.161500 | ||
| NORM | 1.000000 | < R > | .804644 | < R2 > | .812715 | < 1/R > | 1.638587 | < 1/R**2 > | 3.810371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311314 | .31833683 |
| 2 | 2s | 3.739275 | -.82632817 |
| 3 | 3s | 3.010312 | -.30169178 |
| 4 | 4s | 12.783190 | .01222771 |
| 5 | 3s | 14.510816 | .00431696 |
| 6 | 5s | 26.632686 | .00033100 |
| 7 | 5s | 2.076419 | -.02559282 |
| 8 | 4s | 1.862858 | .03144620 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828256 | < R2 > | .818534 | < 1/R > | 1.746674 | < 1/R**2 > | 12.537955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241718 | .89829575 |
| 2 | 1s | 13.938701 | .09845553 |
| 3 | 1s | 14.527640 | .00060916 |
| 4 | 2s | 6.897554 | .01558998 |
| 5 | 3s | 10.758250 | -.00729711 |
| 6 | 4s | 18.592590 | .00283974 |
| 7 | 5s | 61.297081 | -.00003564 |
| 8 | 5s | 5.174788 | .00051344 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624152 | < 1/R**2 > | 187.372998 |
Total Energy= -126.45381142 a.u.
Kinetic Energy= 126.45303104 a.u.
Potential Energy= -252.90684246 a.u.
Virial Ratio = -2.00000617