(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 4 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 4p | .988687 | .75207802 |
| 2 | 5p | .602838 | -1.20616296 |
| 3 | 3p | 2.396225 | -.17530337 |
| 4 | 2p | 11.513552 | .00770378 |
| 5 | 2p | 6.731333 | .04602891 |
| 6 | 5p | 5.278435 | -.02436581 |
| 7 | 3p | 20.678635 | -.00020080 |
| 8 | 2p | .136706 | -.00107301 |
| ORB.ENERGY,a.u. | -.338490 | ||
| NORM | 1.000000 | < R > | 9.531967 | < R2 > | 101.943670 | < 1/R > | .139531 | < 1/R**2 > | .069520 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.930717 | .89983850 |
| 2 | 2p | 1.996689 | -1.14152404 |
| 3 | 3p | 4.534451 | -.45040982 |
| 4 | 2p | 10.660982 | .07805362 |
| 5 | 3p | 20.201721 | -.00128600 |
| 6 | 5p | 2.078077 | -.04591365 |
| 7 | 4p | 2.535592 | -.03685735 |
| 8 | 5p | .534313 | .00194242 |
| 9 | 5p | 8.985945 | -.00629993 |
| 10 | 4p | 74.065510 | .00000673 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.474607 | < R2 > | 2.534643 | < 1/R > | .908895 | < 1/R**2 > | 1.820093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437822 | .76846064 |
| 2 | 1s | 9.981446 | .18054421 |
| 3 | 2s | 5.338458 | -.73203337 |
| 4 | 3s | 2.827749 | .52773479 |
| 5 | 4s | 5.845647 | .06875091 |
| 6 | 2s | 10.542624 | -.16915312 |
| 7 | 2s | 18.469044 | -.00535292 |
| 8 | 5s | 1.935396 | -.03272586 |
| 9 | 4s | 30.432747 | .00055911 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.342635 | < R2 > | 2.069270 | < 1/R > | 1.017271 | < 1/R**2 > | 6.072341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897693 | .47260551 |
| 2 | 3p | 8.064388 | .47424084 |
| 3 | 4p | 6.705478 | .14352635 |
| 4 | 5p | 5.304092 | .00960487 |
| 5 | 2p | 20.012675 | .00691801 |
| 6 | 5p | 15.408455 | -.00705542 |
| 7 | 3p | 48.443819 | .00003746 |
| 8 | 3p | 2.273807 | .00147084 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375305 | < R2 > | .174363 | < 1/R > | 3.450605 | < 1/R**2 > | 16.531887 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489309 | .38362043 |
| 2 | 2s | 7.544768 | -.80325697 |
| 3 | 3s | 6.938534 | -.26219964 |
| 4 | 4s | 30.401354 | .00159830 |
| 5 | 3s | 17.935112 | .00715966 |
| 6 | 2s | 4.311281 | -.08028332 |
| 7 | 5s | 3.287774 | -.01147124 |
| 8 | 4s | 2.973361 | .01403468 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411784 | < R2 > | .200668 | < 1/R > | 3.559291 | < 1/R**2 > | 52.085049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580790 | 1.00986069 |
| 2 | 2s | 22.413011 | -.01728821 |
| 3 | 3s | 14.919380 | .01754244 |
| 4 | 4s | 51.121828 | -.00050659 |
| 5 | 4s | 12.554305 | .00288740 |
| 6 | 5s | 60.163256 | .00012275 |
| 7 | 5s | 16.004341 | -.00409522 |
| 8 | 2s | 34.435583 | -.00228478 |
| 9 | 2s | 85.509271 | .00004384 |
| 10 | 5s | 3.825617 | -.00002753 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.554009 | < 1/R**2 > | 621.167937 |
Total Energy= -525.45176371 a.u.
Kinetic Energy= 525.45665775 a.u.
Potential Energy= -1050.90842146 a.u.
Virial Ratio = -1.99999069