(1s 2 2s 2 2p 1 3p 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3.738746 | .57693860 |
| 2 | 3p | 2.520770 | -1.29108874 |
| 3 | 2p | 8.035954 | .06832872 |
| 4 | 4p | 9.043182 | .02363806 |
| 5 | 5p | 2.586500 | .02057761 |
| 6 | 5p | 17.009306 | .00159812 |
| 7 | 4p | 29.901651 | .00010037 |
| ORB.ENERGY,a.u. | -3.216300 | ||
| NORM | 1.000000 | < R > | 1.521395 | < R2 > | 2.646710 | < 1/R > | .890843 | < 1/R**2 > | 1.648993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.681989 | 1.08020523 |
| 2 | 3p | 5.736703 | -.10381615 |
| 3 | 2p | 11.107872 | .02219815 |
| 4 | 5p | 13.511428 | .00351196 |
| 5 | 4p | 23.702445 | -.00063057 |
| 6 | 5p | 4.870909 | .01210747 |
| 7 | 5p | 69.164378 | -.00001547 |
| 8 | 4p | 4.165802 | -.00471631 |
| ORB.ENERGY,a.u. | -9.071600 | ||
| NORM | 1.000000 | < R > | .521300 | < R2 > | .329896 | < 1/R > | 2.433522 | < 1/R**2 > | 8.051657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.539951 | .34490036 |
| 2 | 2s | 4.256902 | -.79773632 |
| 3 | 3s | 6.391094 | -.27625753 |
| 4 | 4s | 22.900610 | .00135986 |
| 5 | 5s | 12.644847 | -.01437815 |
| 6 | 5s | 5.069458 | .01853175 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .595091 | < R2 > | .415387 | < 1/R > | 2.449823 | < 1/R**2 > | 24.327063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192917 | .92307161 |
| 2 | 1s | 17.424908 | .07872363 |
| 3 | 2s | 9.890858 | .01714145 |
| 4 | 3s | 12.673243 | -.01601375 |
| 5 | 4s | 61.867633 | -.00006543 |
| 6 | 5s | 27.640288 | .00106455 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129680 | < R2 > | .022556 | < 1/R > | 11.648235 | < 1/R**2 > | 273.653111 |
Total Energy= -174.87289447 a.u.
Kinetic Energy= 174.94744365 a.u.
Potential Energy= -349.82033812 a.u.
Virial Ratio = -1.99957388