(1s 2 2s 2 4d 1 ) 2 D Mg 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 | 2.026848 | 1.93937179 |
| 2 | 4d | 2.034034 | -2.52971798 |
| 3 | 3d | 5.671352 | .03157850 |
| 4 | 4d | 4.157067 | .04176061 |
| 5 | 5d | 17.874297 | -.00031249 |
| 6 | 5d | 1.311989 | -.00070206 |
| ORB.ENERGY,a.u. | -2.046900 | ||
| NORM | 1.000000 | < R > | 2.553064 | < R2 > | 7.463933 | < 1/R > | .519041 | < 1/R**2 > | .441769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.192275 | .37560408 |
| 2 | 2s | 4.714881 | -.79076553 |
| 3 | 3s | 6.033781 | -.28454054 |
| 4 | 5s | 11.620397 | -.02161360 |
| 5 | 4s | 23.621952 | .00321066 |
| 6 | 5s | 34.154755 | -.00055542 |
| 7 | 4s | 2.722546 | .00035243 |
| ORB.ENERGY,a.u. | -11.380000 | ||
| NORM | 1.000000 | < R > | .575791 | < R2 > | .387549 | < 1/R > | 2.536675 | < 1/R**2 > | 25.945353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.266569 | .93303534 |
| 2 | 1s | 18.142586 | .06574400 |
| 3 | 2s | 11.494680 | .02004584 |
| 4 | 3s | 13.277281 | -.01660117 |
| 5 | 5s | 26.626029 | .00113354 |
| 6 | 4s | 58.852480 | -.00008872 |
| ORB.ENERGY,a.u. | -59.860000 |
| NORM | 1.000000 | < R > | .129274 | < R2 > | .022387 | < 1/R > | 11.671924 | < 1/R**2 > | 274.519836 |
Total Energy= -164.01623832 a.u.
Kinetic Energy= 164.01278036 a.u.
Potential Energy= -328.02901868 a.u.
Virial Ratio = -2.00002108