(1s 1 4s 1 ) 1 S Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 2.638949 | .62411130 |
| 2 | 2s | 3.750480 | -2.54781128 |
| 3 | 3s | 2.776388 | 5.42499174 |
| 4 | 4s | 2.741531 | -4.60728072 |
| 5 | 5s | 7.681894 | .03958955 |
| 6 | 2s | 6.180235 | .25698468 |
| 7 | 4s | 22.639438 | .00090392 |
| 8 | 5s | 2.421663 | .02543528 |
| 9 | 2s | 12.267393 | .00314039 |
| ORB.ENERGY,a.u. | -3.981900 | ||
| NORM | 1.000002 | < R > | 2.146199 | < R2 > | 5.185409 | < 1/R > | .642132 | < 1/R**2 > | 1.661220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.011823 | 1.00295289 |
| 2 | 2s | 2.198038 | .11854861 |
| 3 | 3s | 5.980990 | -.08305082 |
| 4 | 4s | 7.672988 | .02041739 |
| 5 | 5s | 2.887869 | -.10495510 |
| 6 | 5s | 17.093033 | -.00020143 |
| ORB.ENERGY,a.u. | -71.482000 |
| NORM | 1.000000 | < R > | .128132 | < R2 > | .031382 | < 1/R > | 12.050647 | < 1/R**2 > | 290.173834 |
Total Energy= -75.85259840 a.u.
Kinetic Energy= 75.83852893 a.u.
Potential Energy= -151.69112733 a.u.
Virial Ratio = -2.00018552