(1s 2 2s 1 3s 1 ) 1 S Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 6.869917 | .12538119 |
| 2 | 2s | 3.839938 | -.69045622 |
| 3 | 3s | 3.095772 | 1.60356157 |
| 4 | 4s | 5.664990 | -.19073846 |
| 5 | 5s | 9.038193 | -.00849353 |
| 6 | 4s | 21.053434 | .00113996 |
| 7 | 5s | 2.695503 | -.02642208 |
| 8 | 4s | 2.223699 | .01407575 |
| 9 | 2s | 57.470844 | -.00000551 |
| ORB.ENERGY,a.u. | -5.023900 | ||
| NORM | 1.000000 | < R > | 1.382196 | < R2 > | 2.079923 | < 1/R > | .816531 | < 1/R**2 > | 1.447904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.973972 | .38432075 |
| 2 | 2s | 4.981225 | -.49593484 |
| 3 | 3s | 6.287958 | -.68307616 |
| 4 | 4s | 3.453457 | .32778326 |
| 5 | 5s | 12.624343 | -.02010915 |
| 6 | 4s | 33.215434 | -.00116521 |
| 7 | 3s | 22.937426 | .00447975 |
| 8 | 2s | 52.527954 | .00013345 |
| 9 | 5s | 2.364337 | .01680983 |
| 10 | 3s | 1.949884 | -.03256708 |
| ORB.ENERGY,a.u. | -12.688000 | ||
| NORM | 1.000000 | < R > | .531639 | < R2 > | .359146 | < 1/R > | 2.875701 | < 1/R**2 > | 33.183440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.425360 | .93768906 |
| 2 | 1s | 18.590775 | .05187756 |
| 3 | 2s | 14.187017 | .01473851 |
| 4 | 3s | 8.716384 | .00244842 |
| 5 | 4s | 47.677268 | -.00058595 |
| 6 | 5s | 63.453683 | .00021475 |
| 7 | 5s | 5.052120 | .00034414 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129288 | < R2 > | .022399 | < 1/R > | 11.672723 | < 1/R**2 > | 274.575474 |
Total Energy= -155.11561855 a.u.
Kinetic Energy= 155.10091107 a.u.
Potential Energy= -310.21652961 a.u.
Virial Ratio = -2.00009483