(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 F Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 1.575170 | .48091841 |
| 2 | 4d | 1.321736 | -.75350670 |
| 3 | 3d | 2.860993 | .38512134 |
| 4 | 4d | 4.535133 | -.06677680 |
| 5 | 5d | 3.736842 | -.10600868 |
| 6 | 5d | 1.197282 | -.55006761 |
| 7 | 3d | 8.336263 | .00770181 |
| ORB.ENERGY,a.u. | -.825980 | ||
| NORM | 1.000000 | < R > | 4.157322 | < R2 > | 19.640352 | < 1/R > | .320086 | < 1/R**2 > | .189429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.216890 | .47198931 |
| 2 | 2p | 2.161017 | -.85169704 |
| 3 | 3p | 2.773114 | -.39443357 |
| 4 | 2p | 10.429867 | .09177663 |
| 5 | 4p | 4.383582 | .05958243 |
| 6 | 3p | 17.285755 | -.00229930 |
| 7 | 4p | 35.743002 | -.00012481 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.346456 | < R2 > | 2.087981 | < 1/R > | .995643 | < 1/R**2 > | 2.170492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.187959 | -.39923261 |
| 2 | 1s | 13.004695 | .20690504 |
| 3 | 1s | 69.367803 | .00007028 |
| 4 | 2s | 6.227460 | -.22835884 |
| 5 | 3s | 2.948824 | 1.05858176 |
| 6 | 4s | 5.144152 | .15633309 |
| 7 | 3s | 39.624272 | -.00051962 |
| 8 | 5s | 2.711779 | .03640048 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.272230 | < R2 > | 1.844224 | < 1/R > | 1.076444 | < 1/R**2 > | 6.832502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.908953 | -.02129845 |
| 2 | 2p | 3.784874 | .06589371 |
| 3 | 2p | 15.936747 | .15453117 |
| 4 | 3p | 12.497771 | .42315920 |
| 5 | 4p | 9.798565 | .39687962 |
| 6 | 5p | 7.871385 | .12844070 |
| 7 | 5p | 17.665931 | -.00506620 |
| 8 | 3p | 44.788528 | .00005776 |
| 9 | 3p | 2.183168 | .01423343 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374442 | < R2 > | .173422 | < 1/R > | 3.456529 | < 1/R**2 > | 16.580963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440977 | .38643424 |
| 2 | 2s | 7.560078 | -.82714552 |
| 3 | 3s | 6.829032 | -.28883594 |
| 4 | 4s | 30.505632 | .00179892 |
| 5 | 3s | 17.192908 | .00824756 |
| 6 | 2s | 2.737310 | -.05797904 |
| 7 | 4s | 3.696025 | .02917415 |
| 8 | 5s | 2.753215 | .00128233 |
| 9 | 5s | 79.987604 | .00001128 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410758 | < R2 > | .199534 | < 1/R > | 3.567656 | < 1/R**2 > | 52.307443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572827 | 1.01064281 |
| 2 | 2s | 23.214353 | -.01614085 |
| 3 | 3s | 14.062668 | .01750530 |
| 4 | 4s | 35.477734 | -.00051503 |
| 5 | 4s | 11.845186 | .00190671 |
| 6 | 5s | 44.518020 | .00039360 |
| 7 | 5s | 15.702240 | -.00471956 |
| 8 | 2s | 30.300576 | -.00325195 |
| 9 | 2s | 68.233466 | .00008500 |
| 10 | 5s | 3.527364 | -.00001117 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555889 | < 1/R**2 > | 621.271277 |
Total Energy= -522.32050738 a.u.
Kinetic Energy= 522.33086007 a.u.
Potential Energy= -1044.65136745 a.u.
Virial Ratio = -1.99998018