(1s 2 2s 2 2p 5 3p 1 ) 3 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 3.367556 | .33633870 |
| 2 | 3p | 1.383702 | -1.01324969 |
| 3 | 4p | 5.145278 | -.06895119 |
| 4 | 2p | 8.673085 | .02861501 |
| 5 | 5p | 13.981245 | .00199057 |
| 6 | 5p | 1.332040 | -.04201075 |
| 7 | 3p | 25.820802 | -.00002631 |
| ORB.ENERGY,a.u. | -.775770 | ||
| NORM | 1.000000 | < R > | 2.648612 | < R2 > | 8.035966 | < 1/R > | .493797 | < 1/R**2 > | .539335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.328611 | 1.33300275 |
| 2 | 3p | 3.975563 | -.43656458 |
| 3 | 2p | 8.618440 | .09554264 |
| 4 | 4p | 9.941165 | .02338124 |
| 5 | 3p | 13.348054 | .00051171 |
| 6 | 5p | 2.291030 | .00358647 |
| 7 | 4p | .830488 | .00015306 |
| 8 | 5p | 31.896214 | -.00010966 |
| ORB.ENERGY,a.u. | -3.452600 | ||
| NORM | 1.000000 | < R > | .642195 | < R2 > | .517423 | < 1/R > | 2.049737 | < 1/R**2 > | 5.944465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.897617 | .33494887 |
| 2 | 2s | 4.630596 | -.82381713 |
| 3 | 3s | 3.828355 | -.30158806 |
| 4 | 4s | 16.028145 | .00523006 |
| 5 | 3s | 14.083638 | .00690335 |
| 6 | 5s | 33.824839 | .00019406 |
| 7 | 5s | 2.729282 | -.00175624 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .670432 | < R2 > | .535530 | < 1/R > | 2.167653 | < 1/R**2 > | 19.360569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192885 | .90716518 |
| 2 | 1s | 16.607738 | .09138241 |
| 3 | 2s | 6.091956 | .01905671 |
| 4 | 3s | 7.725907 | -.02092831 |
| 5 | 4s | 9.870972 | .01076316 |
| 6 | 5s | 28.526158 | .00100923 |
| 7 | 4s | 67.547248 | -.00004860 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130505 | < R2 > | .022915 | < 1/R > | 11.602631 | < 1/R**2 > | 272.013017 |
Total Energy= -196.70660119 a.u.
Kinetic Energy= 196.71614158 a.u.
Potential Energy= -393.42274277 a.u.
Virial Ratio = -1.99995150