(1s 2 2s 2 2p 6 3s 2 3p 5 4d 1 ) 1 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 3.388427 | .00693493 |
| 2 | 4d | .247472 | -1.83760304 |
| 3 | 3d | .283745 | 1.85745331 |
| 4 | 4d | 4.467392 | -.00305782 |
| 5 | 5d | 1.999415 | -.00195753 |
| 6 | 3d | .270286 | -.49660505 |
| 7 | 5d | 10.375827 | -.00010950 |
| ORB.ENERGY,a.u. | -.031581 | ||
| NORM | .999992 | < R > | 20.791306 | < R2 > | 493.895039 | < 1/R > | .063106 | < 1/R**2 > | .006419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.176239 | .29485299 |
| 2 | 2p | 1.647674 | -.93511327 |
| 3 | 3p | 3.191324 | -.17985658 |
| 4 | 2p | 7.949146 | .18283939 |
| 5 | 3p | 9.784997 | -.05900310 |
| 6 | 4p | 27.902921 | -.00081574 |
| 7 | 4p | 1.249779 | -.02783906 |
| 8 | 5p | 59.276656 | -.00003452 |
| 9 | 3p | 1.019706 | .02245944 |
| 10 | 3p | 46.230403 | -.00005927 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558383 | < R2 > | 2.860192 | < 1/R > | .863401 | < 1/R**2 > | 1.652678 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286601 | .81283380 |
| 2 | 1s | 10.257354 | .17095693 |
| 3 | 2s | 5.407752 | -.67776072 |
| 4 | 3s | 2.827948 | .45084896 |
| 5 | 4s | 5.544731 | .05904828 |
| 6 | 2s | 10.383699 | -.15253703 |
| 7 | 2s | 16.738974 | -.00918459 |
| 8 | 5s | 1.818810 | -.05040874 |
| 9 | 4s | 31.171922 | .00061819 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381559 | < R2 > | 2.202701 | < 1/R > | .988689 | < 1/R**2 > | 5.724783 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929735 | .47309004 |
| 2 | 3p | 8.056844 | .47295651 |
| 3 | 4p | 6.733021 | .14364656 |
| 4 | 5p | 5.297731 | .01115016 |
| 5 | 2p | 20.933136 | .00547038 |
| 6 | 5p | 15.948581 | -.00567588 |
| 7 | 3p | 44.043275 | .00005587 |
| 8 | 3p | 2.026617 | .00182540 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375608 | < R2 > | .174716 | < 1/R > | 3.448727 | < 1/R**2 > | 16.516880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343309 | .38923451 |
| 2 | 2s | 7.634502 | -.82053688 |
| 3 | 3s | 6.808305 | -.29465635 |
| 4 | 4s | 30.779540 | .00337461 |
| 5 | 3s | 14.439644 | .01383753 |
| 6 | 2s | 4.007951 | -.04578923 |
| 7 | 5s | 2.985912 | -.00537069 |
| 8 | 5s | 41.226043 | -.00056218 |
| 9 | 2s | 103.599759 | -.00000293 |
| 10 | 4s | 2.700175 | .00611214 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412086 | < R2 > | .201007 | < 1/R > | 3.556876 | < 1/R**2 > | 52.021061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580394 | 1.00987108 |
| 2 | 2s | 22.430819 | -.01729980 |
| 3 | 3s | 14.908009 | .01755772 |
| 4 | 4s | 51.031351 | -.00050578 |
| 5 | 4s | 12.557989 | .00288647 |
| 6 | 5s | 60.231395 | .00012311 |
| 7 | 5s | 15.991772 | -.00410157 |
| 8 | 2s | 34.414856 | -.00228272 |
| 9 | 2s | 84.919628 | .00004487 |
| 10 | 5s | 3.964400 | -.00003468 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553535 | < 1/R**2 > | 621.142054 |
Total Energy= -526.30682293 a.u.
Kinetic Energy= 526.30613467 a.u.
Potential Energy= -1052.61295761 a.u.
Virial Ratio = -2.00000131