(1s 1 2s 1 ) 1 S Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 3.899063 | .62275131 |
| 2 | 2s | 5.059654 | -1.16779948 |
| 3 | 3s | 7.327540 | -.43122607 |
| 4 | 4s | 8.712618 | .03196971 |
| 5 | 5s | 15.387667 | -.00756494 |
| 6 | 5s | 4.161761 | -.00254425 |
| 7 | 3s | 37.244535 | -.00007563 |
| ORB.ENERGY,a.u. | -15.901000 | ||
| NORM | 1.000000 | < R > | .527163 | < R2 > | .317666 | < 1/R > | 2.243458 | < 1/R**2 > | 8.379610 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.184928 | 1.02219991 |
| 2 | 2s | 13.842529 | .01950618 |
| 3 | 3s | 6.756000 | -.21858920 |
| 4 | 4s | 24.751557 | .00087098 |
| 5 | 5s | 9.167734 | .02303196 |
| 6 | 4s | 5.554580 | -.00948542 |
| 7 | 3s | 38.348027 | .00006923 |
| ORB.ENERGY,a.u. | -69.901000 |
| NORM | 1.000000 | < R > | .123348 | < R2 > | .024817 | < 1/R > | 12.562621 | < 1/R**2 > | 311.028448 |
Total Energy= -87.77416609 a.u.
Kinetic Energy= 87.72730037 a.u.
Potential Energy= -175.50146646 a.u.
Virial Ratio = -2.00053422