(1s 2 2s 1 2p 1 ) 3 P Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 4.873233 | .89143182 |
| 2 | 2p | 6.915228 | .07391572 |
| 3 | 2p | 13.802229 | .00959630 |
| 4 | 3p | 4.972798 | .04708671 |
| 5 | 4p | 5.544084 | -.01051351 |
| 6 | 5p | 60.552514 | .00002613 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .503918 | < R2 > | .306508 | < 1/R > | 2.501832 | < 1/R**2 > | 8.455094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.137619 | .38191479 |
| 2 | 2s | 4.808720 | -.78403600 |
| 3 | 3s | 5.963836 | -.29351310 |
| 4 | 5s | 10.767525 | -.02429805 |
| 5 | 4s | 21.647314 | .00504592 |
| 6 | 5s | 28.951335 | -.00102331 |
| 7 | 3s | 45.436072 | .00004394 |
| ORB.ENERGY,a.u. | -12.136000 | ||
| NORM | 1.000000 | < R > | .572761 | < R2 > | .383109 | < 1/R > | 2.553795 | < 1/R**2 > | 26.347686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.421066 | .93651459 |
| 2 | 1s | 18.617832 | .05206147 |
| 3 | 2s | 14.269256 | .01479179 |
| 4 | 3s | 12.652389 | .00192944 |
| 5 | 4s | 43.596411 | -.00079529 |
| 6 | 5s | 56.652926 | .00031543 |
| 7 | 5s | 13.524428 | .00241672 |
| 8 | 4s | 4.831606 | -.00008841 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129499 | < R2 > | .022480 | < 1/R > | 11.659280 | < 1/R**2 > | 274.076577 |
Total Energy= -161.30696426 a.u.
Kinetic Energy= 161.46866867 a.u.
Potential Energy= -322.77563293 a.u.
Virial Ratio = -1.99899854