(1s 2 2s 2 2p 6 5s 1 ) 2 S Mg +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 10.297732 | .02372339 |
| 2 | 2s | 3.508526 | -.10184634 |
| 3 | 3s | 1.242691 | .46050394 |
| 4 | 4s | .681629 | -1.63201160 |
| 5 | 5s | .537028 | 1.68871077 |
| 6 | 5s | 6.244966 | .00681667 |
| 7 | 4s | 10.061056 | -.00332395 |
| 8 | 2s | .320217 | .16658432 |
| ORB.ENERGY,a.u. | -.128650 | ||
| NORM | .999996 | < R > | 11.703088 | < R2 > | 153.685835 | < 1/R > | .118187 | < 1/R**2 > | .124953 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.626413 | .49832245 |
| 2 | 3p | 4.237635 | .45618021 |
| 3 | 4p | 3.353901 | .14694121 |
| 4 | 5p | 2.713912 | .00531574 |
| 5 | 2p | 11.213482 | .01833826 |
| 6 | 5p | 15.104777 | .00243057 |
| 7 | 4p | 67.078319 | .00000665 |
| 8 | 3p | 138.975350 | .00000066 |
| 9 | 5p | 1.270687 | -.00007088 |
| ORB.ENERGY,a.u. | -2.461100 | ||
| NORM | 1.000000 | < R > | .681163 | < R2 > | .589037 | < 1/R > | 1.958272 | < 1/R**2 > | 5.498972 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.525265 | .29691130 |
| 2 | 2s | 4.687109 | -.76561142 |
| 3 | 3s | 3.758307 | -.35754182 |
| 4 | 4s | 14.899212 | .02542326 |
| 5 | 3s | 22.125752 | .01433668 |
| 6 | 4s | 2.474965 | -.01707444 |
| 7 | 5s | 23.394182 | .00439126 |
| 8 | 5s | 2.577252 | .00848114 |
| 9 | 2s | 33.567233 | .00161182 |
| ORB.ENERGY,a.u. | -3.955800 | ||
| NORM | 1.000000 | < R > | .690377 | < R2 > | .570964 | < 1/R > | 2.107191 | < 1/R**2 > | 18.369827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.589244 | 1.01743316 |
| 2 | 2s | 16.673510 | -.02556422 |
| 3 | 3s | 7.767470 | .02480778 |
| 4 | 4s | 41.909383 | -.00028482 |
| 5 | 4s | 9.122190 | .00231285 |
| 6 | 5s | 9.852824 | -.01176254 |
| 7 | 2s | 99.734842 | .00000543 |
| 8 | 3s | 3.579040 | .00217566 |
| 9 | 2s | 3.081376 | -.00273726 |
| 10 | 5s | 92.055602 | -.00001105 |
| ORB.ENERGY,a.u. | -48.571000 |
| NORM | 1.000000 | < R > | .130597 | < R2 > | .022957 | < 1/R > | 11.597822 | < 1/R**2 > | 271.843554 |
Total Energy= -198.95936340 a.u.
Kinetic Energy= 198.95935448 a.u.
Potential Energy= -397.91871788 a.u.
Virial Ratio = -2.00000004