(1s 2 2s 2 2p 4 3d 1 ) 2 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3.443474 | 1.06809869 |
| 2 | 3d | 8.877866 | .02521172 |
| 3 | 4d | 4.363900 | -.08396090 |
| 4 | 5d | 27.744394 | -.00011742 |
| 5 | 5d | 3.151117 | .00460079 |
| ORB.ENERGY,a.u. | -5.678900 | ||
| NORM | 1.000000 | < R > | 1.006332 | < R2 > | 1.166656 | < 1/R > | 1.173812 | < 1/R**2 > | 1.686108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.514223 | 1.12940037 |
| 2 | 3p | 7.323032 | -.20621246 |
| 3 | 2p | 13.621568 | .07236520 |
| 4 | 5p | 45.036088 | -.00011704 |
| 5 | 4p | 16.118271 | .01119356 |
| ORB.ENERGY,a.u. | -18.340000 | ||
| NORM | 1.000000 | < R > | .348333 | < R2 > | .148239 | < 1/R > | 3.667181 | < 1/R**2 > | 18.409084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.167349 | .41499478 |
| 2 | 2s | 7.816594 | -.86011481 |
| 3 | 3s | 7.348418 | -.30105627 |
| 4 | 4s | 12.987633 | .00393661 |
| 5 | 3s | 17.391736 | .01466898 |
| 6 | 5s | 39.337498 | .00065288 |
| 7 | 5s | 7.158581 | -.01088512 |
| 8 | 3s | 69.669655 | -.00002115 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .394003 | < R2 > | .182572 | < 1/R > | 3.723721 | < 1/R**2 > | 56.592933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132698 | .91984954 |
| 2 | 1s | 24.599185 | .07653796 |
| 3 | 2s | 11.204512 | .02021355 |
| 4 | 3s | 13.632100 | -.02041464 |
| 5 | 4s | 16.406311 | .00883447 |
| 6 | 5s | 44.043253 | .00073125 |
| 7 | 4s | 106.327009 | -.00002438 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085839 | < R2 > | .009885 | < 1/R > | 17.587686 | < 1/R**2 > | 623.021190 |
Total Energy= -478.73296358 a.u.
Kinetic Energy= 478.59406240 a.u.
Potential Energy= -957.32702598 a.u.
Virial Ratio = -2.00029023