(1s 2 2s 2 2p 4 5d 1 ) 4 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 2.840112 | 1.09033954 |
| 2 | 4d | 2.014412 | -5.16133771 |
| 3 | 5d | 2.034708 | 4.83486152 |
| 4 | 3d | 6.353451 | .06484268 |
| 5 | 5d | 9.595923 | -.01125598 |
| 6 | 4d | 25.399712 | .00011704 |
| 7 | 5d | 1.598692 | -.01401703 |
| 8 | 3d | 32.089020 | .00003482 |
| ORB.ENERGY,a.u. | -2.081300 | ||
| NORM | 1.000003 | < R > | 3.302366 | < R2 > | 12.388476 | < 1/R > | .424757 | < 1/R**2 > | .384680 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.469655 | 1.13269878 |
| 2 | 3p | 7.219443 | -.21314963 |
| 3 | 2p | 13.635347 | .07487221 |
| 4 | 4p | 16.032697 | .01482944 |
| 5 | 5p | 18.382671 | -.00136544 |
| 6 | 5p | 6.496893 | -.00290220 |
| 7 | 5p | 95.182788 | .00001574 |
| ORB.ENERGY,a.u. | -19.333000 | ||
| NORM | 1.000000 | < R > | .347940 | < R2 > | .147803 | < 1/R > | 3.669392 | < 1/R**2 > | 18.424648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.180295 | .41524447 |
| 2 | 2s | 7.812387 | -.86230567 |
| 3 | 3s | 7.313428 | -.30212042 |
| 4 | 4s | 13.921320 | .00372027 |
| 5 | 3s | 17.950893 | .01407853 |
| 6 | 5s | 39.795667 | .00052895 |
| 7 | 5s | 7.076802 | -.00436033 |
| 8 | 2s | 106.714578 | .00000399 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393103 | < R2 > | .181614 | < 1/R > | 3.731425 | < 1/R**2 > | 56.802605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132489 | .91985457 |
| 2 | 1s | 24.600841 | .07653417 |
| 3 | 2s | 11.205775 | .02021279 |
| 4 | 3s | 13.630506 | -.02041683 |
| 5 | 4s | 16.405219 | .00883597 |
| 6 | 5s | 44.073384 | .00072892 |
| 7 | 4s | 106.248988 | -.00002405 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085840 | < R2 > | .009885 | < 1/R > | 17.587603 | < 1/R**2 > | 623.016093 |
Total Energy= -474.97924466 a.u.
Kinetic Energy= 474.99644966 a.u.
Potential Energy= -949.97569432 a.u.
Virial Ratio = -1.99996378