(1s 2 4s 1 ) 2 S Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 8.699670 | .16960427 |
| 2 | 2s | 3.064108 | -1.51001880 |
| 3 | 3s | 2.534303 | 4.91494876 |
| 4 | 4s | 2.530952 | -4.44101389 |
| 5 | 5s | 3.898375 | .31635144 |
| 6 | 4s | 7.200266 | -.09871599 |
| 7 | 5s | 21.815489 | .00174457 |
| 8 | 4s | 28.797209 | .00046636 |
| 9 | 5s | 1.150355 | .00028558 |
| ORB.ENERGY,a.u. | -3.241400 | ||
| NORM | .999998 | < R > | 2.317888 | < R2 > | 6.043812 | < 1/R > | .639194 | < 1/R**2 > | 3.278747 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.446438 | .93657397 |
| 2 | 1s | 18.877291 | .05056194 |
| 3 | 2s | 14.925187 | .01694892 |
| 4 | 3s | 11.995018 | .00266290 |
| 5 | 4s | 36.560265 | -.00108478 |
| 6 | 5s | 43.747166 | .00039260 |
| 7 | 3s | 58.640788 | -.00006617 |
| ORB.ENERGY,a.u. | -64.086000 |
| NORM | 1.000000 | < R > | .129059 | < R2 > | .022301 | < 1/R > | 11.686399 | < 1/R**2 > | 275.099129 |
Total Energy= -139.84844294 a.u.
Kinetic Energy= 139.84845791 a.u.
Potential Energy= -279.69690086 a.u.
Virial Ratio = -1.99999989