(1s 2 2s 2 2p 6 3s 2 3p 5 3d 1 ) 1 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | .339368 | 1.01541719 |
| 2 | 4d | .422056 | -.01618930 |
| 3 | 3d | 1.762385 | .02222999 |
| 4 | 4d | 1.885931 | -.03439448 |
| 5 | 5d | 2.090972 | .01231416 |
| 6 | 3d | 5.686616 | .00094798 |
| 7 | 4d | 22.714904 | .00000835 |
| 8 | 5d | .265830 | .00221266 |
| ORB.ENERGY,a.u. | -.056489 | ||
| NORM | 1.000000 | < R > | 10.325778 | < R2 > | 121.913606 | < 1/R > | .113051 | < 1/R**2 > | .015399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.178040 | .29523384 |
| 2 | 2p | 1.647410 | -.93564669 |
| 3 | 3p | 3.194017 | -.17942701 |
| 4 | 2p | 7.946124 | .18278696 |
| 5 | 3p | 9.773741 | -.05930803 |
| 6 | 4p | 27.713237 | -.00082626 |
| 7 | 4p | 1.209547 | -.02974851 |
| 8 | 5p | 58.394888 | -.00003436 |
| 9 | 3p | .964321 | .02461632 |
| 10 | 3p | 44.967016 | -.00006502 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558353 | < R2 > | 2.859905 | < 1/R > | .863390 | < 1/R**2 > | 1.652607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286572 | .81283563 |
| 2 | 1s | 10.257348 | .17095333 |
| 3 | 2s | 5.407738 | -.67774738 |
| 4 | 3s | 2.827909 | .45083905 |
| 5 | 4s | 5.545072 | .05904792 |
| 6 | 2s | 10.383679 | -.15253373 |
| 7 | 2s | 16.739195 | -.00918435 |
| 8 | 5s | 1.819640 | -.05036338 |
| 9 | 4s | 31.171583 | .00061817 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381606 | < R2 > | 2.202895 | < 1/R > | .988664 | < 1/R**2 > | 5.724523 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929722 | .47309196 |
| 2 | 3p | 8.056844 | .47295491 |
| 3 | 4p | 6.733035 | .14364578 |
| 4 | 5p | 5.297941 | .01114942 |
| 5 | 2p | 20.933220 | .00547038 |
| 6 | 5p | 15.948721 | -.00567600 |
| 7 | 3p | 44.041659 | .00005587 |
| 8 | 3p | 2.026905 | .00182504 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375607 | < R2 > | .174716 | < 1/R > | 3.448730 | < 1/R**2 > | 16.516906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343314 | .38923444 |
| 2 | 2s | 7.634502 | -.82053672 |
| 3 | 3s | 6.808309 | -.29465635 |
| 4 | 4s | 30.779869 | .00337461 |
| 5 | 3s | 14.439614 | .01383746 |
| 6 | 2s | 4.007959 | -.04578914 |
| 7 | 5s | 2.985830 | -.00537093 |
| 8 | 5s | 41.228103 | -.00056208 |
| 9 | 2s | 103.728991 | -.00000293 |
| 10 | 4s | 2.700110 | .00611230 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412085 | < R2 > | .201007 | < 1/R > | 3.556877 | < 1/R**2 > | 52.021086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580394 | 1.00987105 |
| 2 | 2s | 22.430810 | -.01729979 |
| 3 | 3s | 14.908012 | .01755772 |
| 4 | 4s | 51.031692 | -.00050578 |
| 5 | 4s | 12.558001 | .00288647 |
| 6 | 5s | 60.231119 | .00012311 |
| 7 | 5s | 15.991772 | -.00410157 |
| 8 | 2s | 34.414810 | -.00228272 |
| 9 | 2s | 84.921669 | .00004487 |
| 10 | 5s | 3.963805 | -.00003467 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553534 | < 1/R**2 > | 621.142030 |
Total Energy= -526.33200741 a.u.
Kinetic Energy= 526.33101551 a.u.
Potential Energy= -1052.66302292 a.u.
Virial Ratio = -2.00000188