(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 F Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 1.704706 | .34722530 |
| 2 | 4d | 1.002042 | -1.99355571 |
| 3 | 5d | .876105 | 2.21729471 |
| 4 | 3d | 3.317166 | .14938122 |
| 5 | 4d | 4.121655 | -.03195655 |
| 6 | 5d | 12.378862 | .00056913 |
| 7 | 3d | 8.892891 | .00465695 |
| ORB.ENERGY,a.u. | -.582310 | ||
| NORM | 1.000000 | < R > | 7.261413 | < R2 > | 59.679460 | < 1/R > | .193095 | < 1/R**2 > | .089300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.220144 | .47374406 |
| 2 | 2p | 2.163416 | -.85199309 |
| 3 | 3p | 2.783895 | -.39343175 |
| 4 | 2p | 10.447279 | .09152624 |
| 5 | 4p | 4.415984 | .05789399 |
| 6 | 3p | 17.860704 | -.00225418 |
| 7 | 5p | 1.560220 | .00064520 |
| 8 | 5p | 48.676804 | -.00004947 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.343442 | < R2 > | 2.078368 | < 1/R > | .998122 | < 1/R**2 > | 2.181352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.157767 | -.40318484 |
| 2 | 1s | 13.005198 | .20707625 |
| 3 | 1s | 68.123187 | .00007435 |
| 4 | 2s | 6.242839 | -.22882041 |
| 5 | 3s | 2.960515 | 1.06006036 |
| 6 | 4s | 5.124942 | .15736168 |
| 7 | 3s | 39.472082 | -.00051873 |
| 8 | 5s | 2.755243 | .03841496 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269537 | < R2 > | 1.836053 | < 1/R > | 1.078975 | < 1/R**2 > | 6.866691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.955780 | -.02088015 |
| 2 | 2p | 3.791694 | .06602995 |
| 3 | 2p | 15.937027 | .15452286 |
| 4 | 3p | 12.497719 | .42315423 |
| 5 | 4p | 9.798707 | .39687894 |
| 6 | 5p | 7.871954 | .12840847 |
| 7 | 5p | 17.656149 | -.00508414 |
| 8 | 3p | 44.657935 | .00005821 |
| 9 | 3p | 2.221182 | .01366455 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374410 | < R2 > | .173385 | < 1/R > | 3.456701 | < 1/R**2 > | 16.582152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440901 | .38646524 |
| 2 | 2s | 7.560067 | -.82715740 |
| 3 | 3s | 6.830273 | -.28882133 |
| 4 | 4s | 30.522624 | .00180252 |
| 5 | 3s | 17.169440 | .00825851 |
| 6 | 2s | 2.744886 | -.05783731 |
| 7 | 4s | 3.702432 | .02909556 |
| 8 | 5s | 2.738338 | .00122040 |
| 9 | 5s | 79.586307 | .00001074 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410719 | < R2 > | .199488 | < 1/R > | 3.567938 | < 1/R**2 > | 52.314708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572793 | 1.01064337 |
| 2 | 2s | 23.215703 | -.01614153 |
| 3 | 3s | 14.061772 | .01750671 |
| 4 | 4s | 35.478560 | -.00051507 |
| 5 | 4s | 11.848223 | .00190592 |
| 6 | 5s | 44.518709 | .00039354 |
| 7 | 5s | 15.701692 | -.00471967 |
| 8 | 2s | 30.298860 | -.00325171 |
| 9 | 2s | 68.223237 | .00008503 |
| 10 | 5s | 3.519017 | -.00001126 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555846 | < 1/R**2 > | 621.268798 |
Total Energy= -522.08336868 a.u.
Kinetic Energy= 522.08696462 a.u.
Potential Energy= -1044.17033330 a.u.
Virial Ratio = -1.99999311