(1s 2 2s 2 2p 5 5d 1 ) 1 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 2.435381 | 1.24445839 |
| 2 | 4d | 1.890655 | -4.46367225 |
| 3 | 5d | 1.814479 | 3.94978320 |
| 4 | 3d | 5.608904 | .06854200 |
| 5 | 5d | 8.325148 | -.01706407 |
| 6 | 4d | 16.099339 | .00133515 |
| 7 | 5d | 1.539463 | -.03420190 |
| 8 | 3d | 22.730809 | .00022088 |
| ORB.ENERGY,a.u. | -1.669700 | ||
| NORM | .999998 | < R > | 3.701316 | < R2 > | 15.577517 | < 1/R > | .380731 | < 1/R**2 > | .311455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.388941 | 1.17216603 |
| 2 | 3p | 7.535303 | -.23445938 |
| 3 | 2p | 13.914134 | .06232770 |
| 4 | 5p | 41.697155 | -.00014294 |
| 5 | 5p | 4.985857 | .00022780 |
| 6 | 4p | 16.977791 | .00827348 |
| ORB.ENERGY,a.u. | -17.168000 | ||
| NORM | 1.000000 | < R > | .358929 | < R2 > | .158010 | < 1/R > | 3.575939 | < 1/R**2 > | 17.600595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.298655 | .40194837 |
| 2 | 2s | 7.696692 | -.84818419 |
| 3 | 3s | 7.007916 | -.30690900 |
| 4 | 4s | 18.085854 | .00455482 |
| 5 | 3s | 19.463103 | .00708062 |
| 6 | 5s | 35.762635 | .00115775 |
| 7 | 5s | 6.662646 | -.00247112 |
| 8 | 4s | 42.839960 | .00034359 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400735 | < R2 > | .189140 | < 1/R > | 3.657101 | < 1/R**2 > | 54.733849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052665 |
| 2 | 1s | 25.173117 | .06483014 |
| 3 | 2s | 10.851868 | .02186010 |
| 4 | 3s | 13.389140 | -.02197399 |
| 5 | 4s | 16.616715 | .01065873 |
| 6 | 5s | 42.855037 | .00068694 |
| 7 | 4s | 99.290142 | -.00003350 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572634 | < 1/R**2 > | 622.195917 |
Total Energy= -492.15679866 a.u.
Kinetic Energy= 492.14904255 a.u.
Potential Energy= -984.30584120 a.u.
Virial Ratio = -2.00001576