(1s 2 2s 1 4p 1 ) 3 P Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4.810964 | .45676091 |
| 2 | 3p | 2.698082 | -.87488175 |
| 3 | 5p | 2.431523 | 1.50019344 |
| 4 | 4p | 3.648032 | -.44396868 |
| 5 | 5p | 5.528559 | .08688047 |
| 6 | 4p | 12.289166 | -.01296435 |
| 7 | 5p | 26.982715 | -.00201433 |
| 8 | 4p | 45.930024 | -.00058785 |
| 9 | 3p | 1.353429 | .00804764 |
| 10 | 5p | 67.127522 | .00016982 |
| ORB.ENERGY,a.u. | -2.633800 | ||
| NORM | .999999 | < R > | 2.456620 | < R2 > | 6.842865 | < 1/R > | .586522 | < 1/R**2 > | .954091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.881254 | .40759827 |
| 2 | 2s | 5.126087 | -.78201501 |
| 3 | 3s | 5.768018 | -.30680388 |
| 4 | 5s | 10.436711 | -.03708951 |
| 5 | 4s | 22.109514 | .00702038 |
| 6 | 5s | 29.505464 | -.00187825 |
| 7 | 3s | 54.036527 | .00005300 |
| 8 | 4s | 1.777975 | .00074676 |
| 9 | 5s | 1.508149 | -.00026902 |
| ORB.ENERGY,a.u. | -12.977000 | ||
| NORM | 1.000000 | < R > | .560660 | < R2 > | .366640 | < 1/R > | 2.618093 | < 1/R**2 > | 27.659348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426312 | .93735246 |
| 2 | 1s | 18.535119 | .05226593 |
| 3 | 2s | 14.094236 | .01472082 |
| 4 | 3s | 9.160762 | .00226026 |
| 5 | 4s | 47.161691 | -.00060453 |
| 6 | 5s | 62.598201 | .00022436 |
| 7 | 5s | 6.054622 | .00014809 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129266 | < R2 > | .022388 | < 1/R > | 11.673829 | < 1/R**2 > | 274.618004 |
Total Energy= -152.71285018 a.u.
Kinetic Energy= 152.71699525 a.u.
Potential Energy= -305.42984543 a.u.
Virial Ratio = -1.99997286