(1s 2 2s 2 2p 1 5d 1 ) 3 F Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 3.398733 | 1.45181686 |
| 2 | 4d | 2.763715 | -4.46821580 |
| 3 | 5d | 2.602733 | 3.75492865 |
| 4 | 3d | 8.380677 | .02408564 |
| 5 | 5d | 2.127264 | -.02163416 |
| 6 | 5d | 5.459582 | -.02110162 |
| 7 | 4d | 26.505886 | -.00040001 |
| 8 | 5d | 40.661933 | .00010438 |
| 9 | 3d | 11.814198 | .00149031 |
| ORB.ENERGY,a.u. | -3.458500 | ||
| NORM | .999998 | < R > | 2.589966 | < R2 > | 7.610705 | < 1/R > | .536213 | < 1/R**2 > | .592735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.638382 | 1.07889246 |
| 2 | 3p | 9.283470 | -.08995300 |
| 3 | 2p | 18.710302 | .01104879 |
| 4 | 5p | 23.193979 | .00243553 |
| 5 | 5p | 2.624306 | .00258060 |
| 6 | 5p | 23.087882 | -.00018552 |
| 7 | 4p | 2.287764 | -.00260983 |
| ORB.ENERGY,a.u. | -27.205000 | ||
| NORM | 1.000000 | < R > | .320254 | < R2 > | .123919 | < 1/R > | 3.938381 | < 1/R**2 > | 20.932671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.372596 | .39055722 |
| 2 | 2s | 7.029156 | -.81755953 |
| 3 | 3s | 10.030284 | -.28747270 |
| 4 | 4s | 33.307125 | .00116922 |
| 5 | 5s | 19.586841 | -.00818745 |
| 6 | 5s | 7.823042 | .01801203 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371526 | < R2 > | .161387 | < 1/R > | 3.962423 | < 1/R**2 > | 63.424020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.202990 | .93911168 |
| 2 | 1s | 26.411370 | .05733493 |
| 3 | 2s | 15.924023 | .02015724 |
| 4 | 3s | 19.414541 | -.01417731 |
| 5 | 4s | 86.805415 | -.00006074 |
| 6 | 5s | 41.404129 | .00061956 |
| 7 | 5s | 10.344336 | .00004341 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646031 | < 1/R**2 > | 626.241374 |
Total Energy= -408.65516513 a.u.
Kinetic Energy= 408.66914075 a.u.
Potential Energy= -817.32430587 a.u.
Virial Ratio = -1.99996580