(1s 2 2s 2 2p 4 4d 1 ) 4 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 2.975843 | 1.17141492 |
| 2 | 4d | 2.552920 | -1.74070437 |
| 3 | 3d | 7.974095 | .04666011 |
| 4 | 5d | 26.907102 | -.00014262 |
| 5 | 4d | 5.935712 | .05150298 |
| ORB.ENERGY,a.u. | -3.284300 | ||
| NORM | 1.000000 | < R > | 1.980084 | < R2 > | 4.497915 | < 1/R > | .675906 | < 1/R**2 > | .769590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.504164 | 1.12514514 |
| 2 | 3p | 7.267581 | -.20269933 |
| 3 | 2p | 13.730761 | .07220411 |
| 4 | 4p | 16.520448 | .01312391 |
| 5 | 5p | 20.945588 | -.00056206 |
| 6 | 5p | 4.919465 | -.00087059 |
| 7 | 4p | 70.714699 | .00002474 |
| ORB.ENERGY,a.u. | -19.098000 | ||
| NORM | 1.000000 | < R > | .348256 | < R2 > | .148102 | < 1/R > | 3.666885 | < 1/R**2 > | 18.403356 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.159338 | .41593567 |
| 2 | 2s | 7.817483 | -.86241266 |
| 3 | 3s | 7.317542 | -.30216099 |
| 4 | 4s | 13.671423 | .00392671 |
| 5 | 3s | 17.619391 | .01397423 |
| 6 | 5s | 38.391041 | .00067081 |
| 7 | 5s | 7.180517 | -.00591764 |
| 8 | 4s | 3.611484 | .00014341 |
| 9 | 3s | 67.798786 | -.00003225 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393330 | < R2 > | .181847 | < 1/R > | 3.729329 | < 1/R**2 > | 56.743889 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132698 | .91984978 |
| 2 | 1s | 24.599485 | .07653705 |
| 3 | 2s | 11.207310 | .02021061 |
| 4 | 3s | 13.631892 | -.02041483 |
| 5 | 4s | 16.403971 | .00883612 |
| 6 | 5s | 44.057989 | .00073081 |
| 7 | 4s | 106.325337 | -.00002430 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085839 | < R2 > | .009885 | < 1/R > | 17.587713 | < 1/R**2 > | 623.022447 |
Total Energy= -476.16189810 a.u.
Kinetic Energy= 476.19943544 a.u.
Potential Energy= -952.36133354 a.u.
Virial Ratio = -1.99992117