(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 1.425710 | .67259524 |
| 2 | 4d | 1.339287 | -.86815610 |
| 3 | 3d | 2.829986 | .44053767 |
| 4 | 4d | 4.383798 | -.08012678 |
| 5 | 5d | 3.734493 | -.12429679 |
| 6 | 5d | 1.187761 | -.60353633 |
| 7 | 3d | 8.275925 | .00897732 |
| ORB.ENERGY,a.u. | -.814780 | ||
| NORM | 1.000000 | < R > | 4.169975 | < R2 > | 20.068014 | < 1/R > | .334739 | < 1/R**2 > | .216445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.227613 | .46901766 |
| 2 | 2p | 2.126011 | -.86041208 |
| 3 | 3p | 2.818602 | -.39079605 |
| 4 | 2p | 10.500799 | .08923943 |
| 5 | 4p | 4.315316 | .06907359 |
| 6 | 3p | 18.923804 | -.00198466 |
| 7 | 5p | .796289 | -.00007022 |
| 8 | 5p | 114.556074 | .00000320 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.352160 | < R2 > | 2.107076 | < 1/R > | .991633 | < 1/R**2 > | 2.154538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.189381 | -.39875150 |
| 2 | 1s | 13.009023 | .20664657 |
| 3 | 1s | 70.103520 | .00006762 |
| 4 | 2s | 6.221174 | -.22821296 |
| 5 | 3s | 2.946212 | 1.05784636 |
| 6 | 4s | 5.154475 | .15663814 |
| 7 | 3s | 39.817989 | -.00051465 |
| 8 | 5s | 2.713207 | .03681278 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.273178 | < R2 > | 1.847092 | < 1/R > | 1.075553 | < 1/R**2 > | 6.820480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.904185 | -.02116154 |
| 2 | 2p | 3.780376 | .06583354 |
| 3 | 2p | 15.936838 | .15452591 |
| 4 | 3p | 12.497793 | .42314639 |
| 5 | 4p | 9.798842 | .39687831 |
| 6 | 5p | 7.871341 | .12845340 |
| 7 | 5p | 17.651856 | -.00507839 |
| 8 | 3p | 44.613289 | .00005827 |
| 9 | 3p | 2.181185 | .01435531 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374500 | < R2 > | .173496 | < 1/R > | 3.456257 | < 1/R**2 > | 16.579088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440615 | .38645189 |
| 2 | 2s | 7.560299 | -.82715398 |
| 3 | 3s | 6.829193 | -.28883899 |
| 4 | 4s | 30.504014 | .00178804 |
| 5 | 3s | 17.201266 | .00824995 |
| 6 | 2s | 2.734558 | -.05802849 |
| 7 | 4s | 3.691661 | .02923294 |
| 8 | 5s | 2.749369 | .00126349 |
| 9 | 5s | 77.545393 | .00001085 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410758 | < R2 > | .199535 | < 1/R > | 3.567683 | < 1/R**2 > | 52.308280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572864 | 1.01064231 |
| 2 | 2s | 23.212484 | -.01614019 |
| 3 | 3s | 14.063861 | .01750353 |
| 4 | 4s | 35.475237 | -.00051499 |
| 5 | 4s | 11.841680 | .00190763 |
| 6 | 5s | 44.518469 | .00039369 |
| 7 | 5s | 15.702965 | -.00471940 |
| 8 | 2s | 30.302969 | -.00325235 |
| 9 | 2s | 68.247912 | .00008497 |
| 10 | 5s | 3.541343 | -.00001102 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086083 | < R2 > | .009954 | < 1/R > | 17.555941 | < 1/R**2 > | 621.274168 |
Total Energy= -522.31997409 a.u.
Kinetic Energy= 522.31984846 a.u.
Potential Energy= -1044.63982255 a.u.
Virial Ratio = -2.00000024