(1s 2 2s 2 2p 6 3s 2 3p 5 5p 1 ) 1 S Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | 2.540983 | -.01716972 |
| 2 | 2p | .184732 | -.13150149 |
| 3 | 4p | .568765 | .58347008 |
| 4 | 5p | .333831 | -1.04369721 |
| 5 | 3p | 1.312133 | -.09199691 |
| 6 | 3p | .702065 | .14410720 |
| 7 | 2p | 5.031221 | .01403728 |
| 8 | 2p | 10.877348 | .00191645 |
| ORB.ENERGY,a.u. | -.043062 | ||
| NORM | 1.000003 | < R > | 16.935995 | < R2 > | 322.089294 | < 1/R > | .073382 | < 1/R**2 > | .009037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.782858 | .30344431 |
| 2 | 2p | 1.594358 | -.84503876 |
| 3 | 3p | 2.950451 | -.24723253 |
| 4 | 2p | 6.980245 | .19887694 |
| 5 | 3p | 8.746884 | -.11946832 |
| 6 | 4p | 21.065716 | -.00452733 |
| 7 | 4p | .267091 | -.10190418 |
| 8 | 5p | 25.537944 | .00185946 |
| 9 | 3p | .167554 | .15893827 |
| 10 | 3p | 34.953240 | -.00022166 |
| 11 | 5p | .203163 | -.07606260 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558291 | < R2 > | 2.881704 | < 1/R > | .863684 | < 1/R**2 > | 1.653330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286514 | .81279465 |
| 2 | 1s | 10.257260 | .17094426 |
| 3 | 2s | 5.407685 | -.67770207 |
| 4 | 3s | 2.827726 | .45080568 |
| 5 | 4s | 5.545720 | .05904971 |
| 6 | 2s | 10.383883 | -.15251862 |
| 7 | 2s | 16.738241 | -.00918445 |
| 8 | 5s | 1.816204 | -.05042845 |
| 9 | 4s | 31.170664 | .00061836 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381637 | < R2 > | 2.202897 | < 1/R > | .988608 | < 1/R**2 > | 5.723726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929723 | .47308974 |
| 2 | 3p | 8.056846 | .47295576 |
| 3 | 4p | 6.733044 | .14364620 |
| 4 | 5p | 5.299201 | .01114598 |
| 5 | 2p | 20.933220 | .00547051 |
| 6 | 5p | 15.948505 | -.00567568 |
| 7 | 3p | 44.027659 | .00005591 |
| 8 | 3p | 2.028028 | .00182271 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375607 | < R2 > | .174715 | < 1/R > | 3.448728 | < 1/R**2 > | 16.516868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343238 | .38923520 |
| 2 | 2s | 7.634495 | -.82053818 |
| 3 | 3s | 6.808257 | -.29465727 |
| 4 | 4s | 30.776460 | .00337391 |
| 5 | 3s | 14.438960 | .01383781 |
| 6 | 2s | 4.007753 | -.04579063 |
| 7 | 5s | 2.987024 | -.00536885 |
| 8 | 5s | 41.224595 | -.00056201 |
| 9 | 2s | 101.848025 | -.00000299 |
| 10 | 4s | 2.700916 | .00610996 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412088 | < R2 > | .201010 | < 1/R > | 3.556857 | < 1/R**2 > | 52.020570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580390 | 1.00987114 |
| 2 | 2s | 22.430973 | -.01729987 |
| 3 | 3s | 14.907921 | .01755783 |
| 4 | 4s | 51.030387 | -.00050577 |
| 5 | 4s | 12.558111 | .00288643 |
| 6 | 5s | 60.230763 | .00012310 |
| 7 | 5s | 15.991744 | -.00410157 |
| 8 | 2s | 34.414626 | -.00228269 |
| 9 | 2s | 84.920729 | .00004487 |
| 10 | 5s | 3.965135 | -.00003472 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553530 | < 1/R**2 > | 621.141765 |
Total Energy= -526.31766394 a.u.
Kinetic Energy= 526.31353309 a.u.
Potential Energy= -1052.63119704 a.u.
Virial Ratio = -2.00000785