(1s 2 5d 1 ) 2 D Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.003032 | 3.53103260 |
| 2 | 4d | 2.002134 | -8.80441981 |
| 3 | 5d | 2.000745 | 5.96770652 |
| 4 | 3d | 7.991264 | .00129515 |
| 5 | 5d | 12.945529 | -.00056285 |
| 6 | 4d | 37.324702 | .00001744 |
| ORB.ENERGY,a.u. | -2.001300 | ||
| NORM | 1.000004 | < R > | 3.448298 | < R2 > | 13.487363 | < 1/R > | .400381 | < 1/R**2 > | .321125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.447416 | .93656038 |
| 2 | 1s | 18.874066 | .05056618 |
| 3 | 2s | 14.941588 | .01695567 |
| 4 | 3s | 12.051920 | .00263683 |
| 5 | 4s | 37.951897 | -.00110002 |
| 6 | 5s | 46.416507 | .00039517 |
| 7 | 3s | 64.590534 | -.00004906 |
| ORB.ENERGY,a.u. | -64.287000 |
| NORM | 1.000000 | < R > | .129045 | < R2 > | .022295 | < 1/R > | 11.687361 | < 1/R**2 > | 275.137549 |
Total Energy= -138.61444377 a.u.
Kinetic Energy= 138.61180885 a.u.
Potential Energy= -277.22625262 a.u.
Virial Ratio = -2.00001901