(1s 2 2s 2 2p 2 4p 1 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 5.472723 | .18200866 |
| 2 | 3p | 1.191283 | -.47378990 |
| 3 | 5p | 1.407019 | .22566107 |
| 4 | 5p | 1.750109 | 1.44306627 |
| 5 | 4p | 2.663212 | -.73426629 |
| 6 | 5p | 6.746700 | .03431968 |
| 7 | 4p | 16.610321 | -.00222673 |
| 8 | 5p | 38.616532 | -.00018574 |
| 9 | 4p | 57.701939 | -.00003615 |
| ORB.ENERGY,a.u. | -1.278600 | ||
| NORM | 1.000000 | < R > | 3.379454 | < R2 > | 12.885039 | < 1/R > | .400812 | < 1/R**2 > | .410327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.537708 | 1.30613197 |
| 2 | 3p | 6.057643 | -.37745580 |
| 3 | 4p | 7.747334 | .07177297 |
| 4 | 5p | 1.807192 | .06137985 |
| 5 | 4p | 1.705585 | -.04488510 |
| 6 | 5p | 23.022478 | -.00107564 |
| 7 | 3p | 19.540362 | -.00115309 |
| 8 | 3p | .784089 | .00054815 |
| 9 | 4p | 63.073532 | .00001788 |
| ORB.ENERGY,a.u. | -7.828800 | ||
| NORM | 1.000000 | < R > | .542831 | < R2 > | .363089 | < 1/R > | 2.351013 | < 1/R**2 > | 7.556450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.762067 | .37619092 |
| 2 | 2s | 4.918535 | -.82956847 |
| 3 | 3s | 5.097390 | -.27017796 |
| 4 | 4s | 19.707389 | .00259456 |
| 5 | 3s | 11.590167 | .01763710 |
| 6 | 5s | 5.057992 | -.04297355 |
| 7 | 4s | 1.246529 | .00013967 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610757 | < R2 > | .438496 | < 1/R > | 2.382651 | < 1/R**2 > | 23.096458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.155675 | .91175383 |
| 2 | 1s | 17.177605 | .08816792 |
| 3 | 2s | 10.270681 | .01906951 |
| 4 | 3s | 13.087490 | -.01555745 |
| 5 | 5s | 28.481391 | .00121140 |
| 6 | 4s | 69.223753 | -.00003868 |
| 7 | 5s | 9.064025 | .00062215 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129934 | < R2 > | .022666 | < 1/R > | 11.633974 | < 1/R**2 > | 273.137617 |
Total Energy= -181.29086558 a.u.
Kinetic Energy= 181.27793982 a.u.
Potential Energy= -362.56880540 a.u.
Virial Ratio = -2.00007130