(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 1.701087 | .38219165 |
| 2 | 4d | .992593 | -2.06142487 |
| 3 | 5d | .873893 | 2.27035913 |
| 4 | 3d | 3.416762 | .14778930 |
| 5 | 4d | 4.157209 | -.03496916 |
| 6 | 5d | 13.192594 | .00024997 |
| 7 | 3d | 8.828698 | .00473976 |
| ORB.ENERGY,a.u. | -.580560 | ||
| NORM | 1.000002 | < R > | 7.277091 | < R2 > | 60.136638 | < 1/R > | .196695 | < 1/R**2 > | .095809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.213797 | .47377504 |
| 2 | 2p | 2.168706 | -.85083499 |
| 3 | 3p | 2.762889 | -.39515180 |
| 4 | 2p | 10.430824 | .09201535 |
| 5 | 4p | 4.365780 | .05735760 |
| 6 | 3p | 17.350343 | -.00228299 |
| 7 | 4p | 35.714802 | -.00012203 |
| 8 | 4p | 1.477408 | .00067957 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.344621 | < R2 > | 2.082027 | < 1/R > | .997172 | < 1/R**2 > | 2.177376 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.158484 | -.40302010 |
| 2 | 1s | 13.005439 | .20703531 |
| 3 | 1s | 68.033893 | .00007455 |
| 4 | 2s | 6.242189 | -.22878704 |
| 5 | 3s | 2.959933 | 1.05989545 |
| 6 | 4s | 5.126633 | .15735422 |
| 7 | 3s | 39.479349 | -.00051749 |
| 8 | 5s | 2.755496 | .03846684 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269728 | < R2 > | 1.836624 | < 1/R > | 1.078790 | < 1/R**2 > | 6.864163 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.957633 | -.02081405 |
| 2 | 2p | 3.790816 | .06602278 |
| 3 | 2p | 15.937003 | .15452246 |
| 4 | 3p | 12.497722 | .42315161 |
| 5 | 4p | 9.798692 | .39687670 |
| 6 | 5p | 7.871905 | .12840817 |
| 7 | 5p | 17.655660 | -.00508284 |
| 8 | 3p | 44.654008 | .00005822 |
| 9 | 3p | 2.223219 | .01364524 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374423 | < R2 > | .173402 | < 1/R > | 3.456639 | < 1/R**2 > | 16.581729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440872 | .38646717 |
| 2 | 2s | 7.560108 | -.82715886 |
| 3 | 3s | 6.830272 | -.28882170 |
| 4 | 4s | 30.523771 | .00180142 |
| 5 | 3s | 17.171520 | .00825833 |
| 6 | 2s | 2.744399 | -.05784587 |
| 7 | 4s | 3.701868 | .02910293 |
| 8 | 5s | 2.738431 | .00122060 |
| 9 | 5s | 79.586764 | .00001071 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410719 | < R2 > | .199489 | < 1/R > | 3.567943 | < 1/R**2 > | 52.314881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572803 | 1.01064315 |
| 2 | 2s | 23.215300 | -.01614127 |
| 3 | 3s | 14.062051 | .01750628 |
| 4 | 4s | 35.478012 | -.00051506 |
| 5 | 4s | 11.847350 | .00190616 |
| 6 | 5s | 44.518785 | .00039355 |
| 7 | 5s | 15.701845 | -.00471965 |
| 8 | 2s | 30.299397 | -.00325179 |
| 9 | 2s | 68.226673 | .00008502 |
| 10 | 5s | 3.521041 | -.00001123 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555858 | < 1/R**2 > | 621.269485 |
Total Energy= -522.08304001 a.u.
Kinetic Energy= 522.08525299 a.u.
Potential Energy= -1044.16829300 a.u.
Virial Ratio = -1.99999576