(1s 2 2s 2 2p 3 4p 1 ) 5 P Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 4p- electron | |
| 1 | 2p | 5.537350 | .17764430 |
| 2 | 3p | 1.092804 | 2.04950073 |
| 3 | 4p | 2.156205 | -1.40444335 |
| 4 | 5p | 3.955540 | -.16258878 |
| 5 | 3p | 10.790339 | -.00474942 |
| 6 | 4p | .699905 | .04593294 |
| 7 | 5p | 1.075800 | -.26230931 |
| 8 | 3p | .229360 | -.02186544 |
| 9 | 4p | 24.347441 | -.00005024 |
| 10 | 5p | .308580 | .01705886 |
| ORB.ENERGY,a.u. | -.948220 | ||
| NORM | 1.000001 | < R > | 3.789208 | < R2 > | 16.228049 | < 1/R > | .368937 | < 1/R**2 > | .396794 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.264875 | 1.43649685 |
| 2 | 3p | 5.535273 | -.55695975 |
| 3 | 4p | 6.899349 | .11442707 |
| 4 | 5p | 21.029052 | -.00279276 |
| 5 | 4p | 2.699225 | .01450040 |
| 6 | 4p | 28.248569 | -.00116096 |
| 7 | 5p | 2.673707 | -.00730719 |
| 8 | 3p | 5.043346 | -.00025984 |
| 9 | 3p | 42.158562 | -.00007875 |
| ORB.ENERGY,a.u. | -6.491400 | ||
| NORM | 1.000000 | < R > | .570103 | < R2 > | .398865 | < 1/R > | 2.253762 | < 1/R**2 > | 7.007981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.750171 | .36490432 |
| 2 | 2s | 4.843003 | -.83947069 |
| 3 | 3s | 4.506118 | -.28067960 |
| 4 | 4s | 19.624353 | .00243756 |
| 5 | 3s | 11.613549 | .01714155 |
| 6 | 5s | 4.632218 | -.01968623 |
| 7 | 4s | 1.255336 | .00017260 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .629787 | < R2 > | .467947 | < 1/R > | 2.307799 | < 1/R**2 > | 21.760083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.166844 | .91184852 |
| 2 | 1s | 17.088566 | .08750594 |
| 3 | 2s | 9.766322 | .01783089 |
| 4 | 3s | 13.875582 | -.01495503 |
| 5 | 4s | 22.006123 | .00341797 |
| 6 | 5s | 40.378865 | .00010247 |
| 7 | 5s | 8.243831 | .00072339 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130177 | < R2 > | .022771 | < 1/R > | 11.620420 | < 1/R**2 > | 272.648820 |
Total Energy= -187.79686030 a.u.
Kinetic Energy= 187.80836729 a.u.
Potential Energy= -375.60522759 a.u.
Virial Ratio = -1.99993873