(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 2 F Ar 3+
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 | 1.416454 | .69200760 |
| 2 | 4d | 1.289337 | -.85228659 |
| 3 | 3d | 2.869841 | .42073565 |
| 4 | 4d | 4.341891 | -.07528506 |
| 5 | 5d | 3.778512 | -.12298620 |
| 6 | 5d | 1.159845 | -.59453767 |
| 7 | 3d | 8.406373 | .00864123 |
| ORB.ENERGY,a.u. | -.796980 | ||
| NORM | 1.000000 | < R > | 4.264467 | < R2 > | 21.117272 | < 1/R > | .334020 | < 1/R**2 > | .219677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.221935 | .46672859 |
| 2 | 2p | 2.136759 | -.85277649 |
| 3 | 3p | 2.771998 | -.39180784 |
| 4 | 2p | 10.446043 | .09099710 |
| 5 | 4p | 4.247675 | .06206107 |
| 6 | 3p | 17.595123 | -.00217668 |
| 7 | 4p | 35.425512 | -.00011373 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.352983 | < R2 > | 2.109641 | < 1/R > | .991142 | < 1/R**2 > | 2.153195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.185989 | -.39906751 |
| 2 | 1s | 13.014245 | .20647884 |
| 3 | 1s | 72.406415 | .00006142 |
| 4 | 2s | 6.218012 | -.22806000 |
| 5 | 3s | 2.945646 | 1.05708335 |
| 6 | 4s | 5.157769 | .15750758 |
| 7 | 3s | 40.097622 | -.00051695 |
| 8 | 5s | 2.720341 | .03742085 |
| 9 | 4s | .988050 | -.00010923 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.273465 | < R2 > | 1.847944 | < 1/R > | 1.075284 | < 1/R**2 > | 6.816895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.925106 | -.02079696 |
| 2 | 2p | 3.783963 | .06589381 |
| 3 | 2p | 15.936965 | .15451410 |
| 4 | 3p | 12.497804 | .42311826 |
| 5 | 4p | 9.798963 | .39682578 |
| 6 | 5p | 7.871047 | .12844175 |
| 7 | 5p | 17.650434 | -.00508600 |
| 8 | 3p | 44.609994 | .00005833 |
| 9 | 3p | 2.201373 | .01406954 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374520 | < R2 > | .173522 | < 1/R > | 3.456159 | < 1/R**2 > | 16.578395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440687 | .38645073 |
| 2 | 2s | 7.560302 | -.82715247 |
| 3 | 3s | 6.829244 | -.28883785 |
| 4 | 4s | 30.513218 | .00178806 |
| 5 | 3s | 17.202664 | .00824950 |
| 6 | 2s | 2.734478 | -.05802965 |
| 7 | 4s | 3.691954 | .02922915 |
| 8 | 5s | 2.749214 | .00126482 |
| 9 | 5s | 78.526763 | .00001062 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410757 | < R2 > | .199534 | < 1/R > | 3.567697 | < 1/R**2 > | 52.308672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572870 | 1.01064217 |
| 2 | 2s | 23.212191 | -.01614003 |
| 3 | 3s | 14.064067 | .01750324 |
| 4 | 4s | 35.474959 | -.00051499 |
| 5 | 4s | 11.841165 | .00190777 |
| 6 | 5s | 44.518469 | .00039370 |
| 7 | 5s | 15.703070 | -.00471938 |
| 8 | 2s | 30.303373 | -.00325242 |
| 9 | 2s | 68.249877 | .00008496 |
| 10 | 5s | 3.541765 | -.00001099 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086083 | < R2 > | .009954 | < 1/R > | 17.555948 | < 1/R**2 > | 621.274571 |
Total Energy= -522.32203721 a.u.
Kinetic Energy= 522.30205343 a.u.
Potential Energy= -1044.62409064 a.u.
Virial Ratio = -2.00003826