(1s 2 4d 1 ) 2 D Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.925715 | 2.42386716 |
| 2 | 4d | 1.997899 | -2.96353250 |
| 3 | 3d | 11.355353 | .00043861 |
| 4 | 5d | 39.249398 | .00000356 |
| 5 | 5d | 1.867832 | -.00666941 |
| 6 | 4d | 6.659767 | .00059437 |
| ORB.ENERGY,a.u. | -2.001300 | ||
| NORM | 1.000000 | < R > | 2.623285 | < R2 > | 7.865676 | < 1/R > | .500590 | < 1/R**2 > | .401501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.301526 | .88460381 |
| 2 | 1s | 13.462266 | .11096337 |
| 3 | 2s | 7.896256 | .01393506 |
| 4 | 3s | 8.476661 | -.00882185 |
| 5 | 4s | 18.090133 | .00468805 |
| 6 | 5s | 21.063248 | -.00046909 |
| 7 | 5s | 8.202341 | .00032751 |
| ORB.ENERGY,a.u. | -43.372000 |
| NORM | 1.000000 | < R > | .155868 | < R2 > | .032555 | < 1/R > | 9.687295 | < 1/R**2 > | 189.307202 |
Total Energy= -95.86541471 a.u.
Kinetic Energy= 95.86203546 a.u.
Potential Energy= -191.72745017 a.u.
Virial Ratio = -2.00003525