(1s 2 2s 2 2p 6 3s 2 3p 5 4p 1 ) 1 S Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | .370359 | .99759084 |
| 2 | 5p | .613885 | .18544908 |
| 3 | 4p | 3.890010 | -.03371406 |
| 4 | 2p | 7.103465 | .01348547 |
| 5 | 5p | 2.638911 | -.03862521 |
| 6 | 3p | 9.405962 | -.00336240 |
| 7 | 3p | 1.099270 | -.30916132 |
| 8 | 4p | 46.078003 | -.00001344 |
| ORB.ENERGY,a.u. | -.089240 | ||
| NORM | 1.000001 | < R > | 8.117695 | < R2 > | 73.904194 | < 1/R > | .139921 | < 1/R**2 > | .024884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.599383 | .30023986 |
| 2 | 2p | 1.601421 | -.86356188 |
| 3 | 3p | 2.996999 | -.23440122 |
| 4 | 2p | 7.326876 | .18145634 |
| 5 | 3p | 8.932159 | -.09304572 |
| 6 | 4p | 24.446452 | -.00017220 |
| 7 | 5p | .362767 | .00136351 |
| 8 | 5p | 47.177409 | -.00002542 |
| 9 | 2p | 25.285009 | .00045514 |
| 10 | 4p | .558935 | .01609925 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.556277 | < R2 > | 2.858012 | < 1/R > | .864069 | < 1/R**2 > | 1.654135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.295149 | .80263722 |
| 2 | 1s | 10.221188 | .17191095 |
| 3 | 2s | 5.438516 | -.67884435 |
| 4 | 3s | 2.817606 | .45736082 |
| 5 | 4s | 5.555572 | .05672923 |
| 6 | 2s | 10.543629 | -.15114104 |
| 7 | 2s | 17.770458 | -.00640825 |
| 8 | 5s | 1.803835 | -.04596042 |
| 9 | 4s | 30.852186 | .00056240 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381820 | < R2 > | 2.203468 | < 1/R > | .988462 | < 1/R**2 > | 5.721980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929765 | .47307990 |
| 2 | 3p | 8.056840 | .47296270 |
| 3 | 4p | 6.733039 | .14364875 |
| 4 | 5p | 5.300318 | .01114332 |
| 5 | 2p | 20.932925 | .00547075 |
| 6 | 5p | 15.947988 | -.00567525 |
| 7 | 3p | 44.018106 | .00005597 |
| 8 | 3p | 2.030954 | .00181832 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375608 | < R2 > | .174716 | < 1/R > | 3.448710 | < 1/R**2 > | 16.516704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343161 | .38923466 |
| 2 | 2s | 7.634483 | -.82053955 |
| 3 | 3s | 6.808126 | -.29465883 |
| 4 | 4s | 30.771465 | .00337371 |
| 5 | 3s | 14.438564 | .01383789 |
| 6 | 2s | 4.007533 | -.04579219 |
| 7 | 5s | 2.988210 | -.00536691 |
| 8 | 5s | 41.218975 | -.00056198 |
| 9 | 2s | 100.249504 | -.00000307 |
| 10 | 4s | 2.701792 | .00610736 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412092 | < R2 > | .201014 | < 1/R > | 3.556824 | < 1/R**2 > | 52.019691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580384 | 1.00987116 |
| 2 | 2s | 22.431341 | -.01729989 |
| 3 | 3s | 14.907711 | .01755811 |
| 4 | 4s | 51.028372 | -.00050577 |
| 5 | 4s | 12.558415 | .00288633 |
| 6 | 5s | 60.230429 | .00012309 |
| 7 | 5s | 15.991665 | -.00410157 |
| 8 | 2s | 34.414311 | -.00228265 |
| 9 | 2s | 84.918559 | .00004488 |
| 10 | 5s | 3.965137 | -.00003476 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553519 | < 1/R**2 > | 621.141219 |
Total Energy= -526.36274523 a.u.
Kinetic Energy= 526.34364056 a.u.
Potential Energy= -1052.70638578 a.u.
Virial Ratio = -2.00003630