(1s 2 2s 2 5d 1 ) 2 D Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.749185 | 2.43745702 |
| 2 | 4d | 1.580006 | -8.32394139 |
| 3 | 5d | 1.622480 | 6.57733086 |
| 4 | 3d | 3.947735 | .07061913 |
| 5 | 5d | 6.268483 | -.01476653 |
| 6 | 4d | 23.245584 | .00029718 |
| 7 | 5d | 1.385939 | .05419598 |
| 8 | 5d | 30.789448 | -.00015084 |
| ORB.ENERGY,a.u. | -1.304200 | ||
| NORM | .999998 | < R > | 4.224037 | < R2 > | 20.254679 | < 1/R > | .329394 | < 1/R**2 > | .223795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.169938 | .37725238 |
| 2 | 2s | 4.739207 | -.79100485 |
| 3 | 3s | 6.004764 | -.28567395 |
| 4 | 5s | 11.523363 | -.02164855 |
| 5 | 4s | 23.517900 | .00346489 |
| 6 | 5s | 33.889472 | -.00062439 |
| 7 | 4s | 2.596201 | .00011625 |
| ORB.ENERGY,a.u. | -11.568000 | ||
| NORM | 1.000000 | < R > | .575191 | < R2 > | .386678 | < 1/R > | 2.539408 | < 1/R**2 > | 25.997749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.266418 | .93308928 |
| 2 | 1s | 18.159323 | .06563619 |
| 3 | 2s | 11.551128 | .02006637 |
| 4 | 3s | 13.308557 | -.01655291 |
| 5 | 5s | 26.615233 | .00112620 |
| 6 | 4s | 58.652614 | -.00008992 |
| ORB.ENERGY,a.u. | -60.057000 |
| NORM | 1.000000 | < R > | .129274 | < R2 > | .022387 | < 1/R > | 11.671940 | < 1/R**2 > | 274.520168 |
Total Energy= -163.27228440 a.u.
Kinetic Energy= 163.27014252 a.u.
Potential Energy= -326.54242691 a.u.
Virial Ratio = -2.00001312