(1s 2 2s 2 2p 4 4d 1 ) 2 F Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 2.894348 | 1.28811026 |
| 2 | 4d | 2.529935 | -1.83094128 |
| 3 | 3d | 8.032072 | .03901988 |
| 4 | 4d | 6.107831 | .03673736 |
| 5 | 5d | 9.871265 | -.00415180 |
| 6 | 4d | 50.234160 | .00001268 |
| ORB.ENERGY,a.u. | -3.233500 | ||
| NORM | 1.000000 | < R > | 2.012487 | < R2 > | 4.647413 | < 1/R > | .664533 | < 1/R**2 > | .740106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.511306 | 1.12692473 |
| 2 | 3p | 7.291485 | -.20390812 |
| 3 | 2p | 13.617521 | .07303385 |
| 4 | 4p | 16.248083 | .01095226 |
| 5 | 5p | 44.069054 | -.00012467 |
| 6 | 5p | 5.001602 | -.00085034 |
| ORB.ENERGY,a.u. | -19.047000 | ||
| NORM | 1.000000 | < R > | .348123 | < R2 > | .147990 | < 1/R > | 3.668156 | < 1/R**2 > | 18.414982 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.158671 | .41597780 |
| 2 | 2s | 7.818071 | -.86241755 |
| 3 | 3s | 7.318929 | -.30215615 |
| 4 | 4s | 13.712674 | .00393359 |
| 5 | 3s | 17.612775 | .01399819 |
| 6 | 5s | 38.406479 | .00067265 |
| 7 | 5s | 7.175761 | -.00600626 |
| 8 | 4s | 3.617029 | .00015101 |
| 9 | 3s | 68.022922 | -.00003198 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393321 | < R2 > | .181839 | < 1/R > | 3.729430 | < 1/R**2 > | 56.747113 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132698 | .91984849 |
| 2 | 1s | 24.598584 | .07653974 |
| 3 | 2s | 11.202454 | .02021684 |
| 4 | 3s | 13.628303 | -.02042003 |
| 5 | 4s | 16.404459 | .00883613 |
| 6 | 5s | 44.016985 | .00072961 |
| 7 | 4s | 106.279895 | -.00002499 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085839 | < R2 > | .009885 | < 1/R > | 17.587649 | < 1/R**2 > | 623.018806 |
Total Energy= -476.16246479 a.u.
Kinetic Energy= 476.14862089 a.u.
Potential Energy= -952.31108569 a.u.
Virial Ratio = -2.00002907