(1s 2 2s 1 5d 1 ) 1 D Mg 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 | 1.799406 | 3.52271943 |
| 2 | 4d | 1.802136 | -8.81330232 |
| 3 | 5d | 1.802962 | 5.97044947 |
| 4 | 3d | 7.781929 | .00611325 |
| 5 | 5d | 1.592537 | .00787176 |
| 6 | 5d | 21.304606 | -.00026863 |
| 7 | 4d | 4.368183 | .00563482 |
| 8 | 4d | 36.843262 | -.00002436 |
| ORB.ENERGY,a.u. | -1.623300 | ||
| NORM | .999996 | < R > | 3.821042 | < R2 > | 16.577746 | < 1/R > | .363355 | < 1/R**2 > | .268010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.970948 | .40293170 |
| 2 | 2s | 5.021719 | -.78711302 |
| 3 | 3s | 6.010881 | -.30167411 |
| 4 | 5s | 10.396726 | -.02942678 |
| 5 | 4s | 21.248026 | .00764216 |
| 6 | 5s | 28.347392 | -.00197478 |
| 7 | 4s | 75.556402 | .00002354 |
| ORB.ENERGY,a.u. | -13.123000 | ||
| NORM | 1.000000 | < R > | .559767 | < R2 > | .365473 | < 1/R > | 2.623096 | < 1/R**2 > | 27.762996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426784 | .93806212 |
| 2 | 1s | 18.638375 | .05153568 |
| 3 | 2s | 14.306412 | .01477368 |
| 4 | 3s | 9.092523 | .00217926 |
| 5 | 4s | 46.625993 | -.00062785 |
| 6 | 5s | 61.719132 | .00023310 |
| 7 | 5s | 6.528327 | .00022325 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129239 | < R2 > | .022378 | < 1/R > | 11.675596 | < 1/R**2 > | 274.685345 |
Total Energy= -151.76156758 a.u.
Kinetic Energy= 151.70765151 a.u.
Potential Energy= -303.46921909 a.u.
Virial Ratio = -2.00035539