(1s 2 2s 2 2p 2 3d 1 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 2.009229 | 1.02430117 |
| 2 | 3d | 5.875309 | .01823718 |
| 3 | 4d | 2.522459 | -.03159365 |
| 4 | 5d | 18.673430 | -.00011950 |
| ORB.ENERGY,a.u. | -2.002200 | ||
| NORM | 1.000000 | < R > | 1.728230 | < R2 > | 3.428809 | < 1/R > | .680544 | < 1/R**2 > | .564058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.366385 | 1.19714126 |
| 2 | 3p | 5.273524 | -.22024948 |
| 3 | 2p | 11.595186 | .02079258 |
| 4 | 4p | 12.595272 | .00484866 |
| 5 | 5p | 2.170774 | -.00471832 |
| 6 | 5p | 25.651418 | -.00034292 |
| 7 | 4p | 1.893176 | .00506177 |
| ORB.ENERGY,a.u. | -7.386400 | ||
| NORM | 1.000000 | < R > | .543589 | < R2 > | .360336 | < 1/R > | 2.346562 | < 1/R**2 > | 7.535277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.766969 | .37542712 |
| 2 | 2s | 4.912194 | -.82972170 |
| 3 | 3s | 5.061485 | -.27045513 |
| 4 | 4s | 19.321702 | .00266048 |
| 5 | 3s | 11.860642 | .01627781 |
| 6 | 5s | 4.950100 | -.04133354 |
| 7 | 5s | 2.985332 | -.00041805 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .611808 | < R2 > | .440327 | < 1/R > | 2.379347 | < 1/R**2 > | 23.040373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156492 | .91174081 |
| 2 | 1s | 17.176770 | .08816880 |
| 3 | 2s | 10.297784 | .01904976 |
| 4 | 3s | 13.085134 | -.01555753 |
| 5 | 5s | 28.490687 | .00121166 |
| 6 | 4s | 69.203532 | -.00003943 |
| 7 | 5s | 8.922876 | .00064046 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129919 | < R2 > | .022660 | < 1/R > | 11.634880 | < 1/R**2 > | 273.171349 |
Total Energy= -182.08389729 a.u.
Kinetic Energy= 182.00192707 a.u.
Potential Energy= -364.08582435 a.u.
Virial Ratio = -2.00045038