(1s 2 2s 1 4p 1 ) 1 P Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4.772913 | .46377203 |
| 2 | 3p | 2.720601 | -.90407738 |
| 3 | 5p | 2.418525 | 1.50400255 |
| 4 | 4p | 3.538125 | -.41596789 |
| 5 | 5p | 5.664846 | .08026375 |
| 6 | 4p | 11.370862 | -.01620378 |
| 7 | 5p | 26.490411 | -.00222668 |
| 8 | 4p | 44.817907 | -.00063590 |
| 9 | 3p | 1.285550 | .00578154 |
| 10 | 5p | 65.549640 | .00017967 |
| ORB.ENERGY,a.u. | -2.617300 | ||
| NORM | 1.000000 | < R > | 2.470859 | < R2 > | 6.924817 | < 1/R > | .583697 | < 1/R**2 > | .947169 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.972066 | .40238961 |
| 2 | 2s | 5.033417 | -.78260641 |
| 3 | 3s | 5.991825 | -.30314028 |
| 4 | 5s | 10.158136 | -.03240776 |
| 5 | 4s | 21.218159 | .00747703 |
| 6 | 5s | 28.261463 | -.00171851 |
| 7 | 5s | 2.745425 | -.00074434 |
| 8 | 3s | 44.087305 | .00007225 |
| ORB.ENERGY,a.u. | -12.960000 | ||
| NORM | 1.000000 | < R > | .560168 | < R2 > | .365946 | < 1/R > | 2.620363 | < 1/R**2 > | 27.704880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426013 | .93740440 |
| 2 | 1s | 18.539496 | .05221756 |
| 3 | 2s | 14.089272 | .01470383 |
| 4 | 3s | 8.990864 | .00234349 |
| 5 | 4s | 46.933062 | -.00060434 |
| 6 | 5s | 62.170465 | .00022315 |
| 7 | 5s | 6.116018 | .00018297 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129279 | < R2 > | .022394 | < 1/R > | 11.673189 | < 1/R**2 > | 274.595810 |
Total Energy= -152.71280570 a.u.
Kinetic Energy= 152.70052449 a.u.
Potential Energy= -305.41333018 a.u.
Virial Ratio = -2.00008043