(1s 2 2s 2 2p 5 5p 1 ) 3 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 3.043918 | .08668668 |
| 2 | 3p | 1.211642 | -.79048250 |
| 3 | 4p | .770842 | 2.68533524 |
| 4 | 5p | .688951 | -2.64099185 |
| 5 | 2p | 6.451592 | .03707983 |
| 6 | 5p | 8.566237 | .00432528 |
| 7 | 4p | 21.780819 | -.00028978 |
| ORB.ENERGY,a.u. | -.228400 | ||
| NORM | 1.000004 | < R > | 9.563642 | < R2 > | 102.882017 | < 1/R > | .148137 | < 1/R**2 > | .085688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.357258 | 1.33616939 |
| 2 | 3p | 4.032377 | -.43338670 |
| 3 | 2p | 8.636727 | .09259731 |
| 4 | 4p | 9.997155 | .02115723 |
| 5 | 5p | 2.159221 | .01080082 |
| 6 | 3p | 15.766256 | .00006779 |
| 7 | 4p | 1.786570 | -.01035970 |
| 8 | 3p | .390190 | .00033921 |
| 9 | 5p | 31.276791 | -.00011044 |
| ORB.ENERGY,a.u. | -3.795900 | ||
| NORM | 1.000000 | < R > | .640151 | < R2 > | .513293 | < 1/R > | 2.053969 | < 1/R**2 > | 5.964460 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.893742 | .33565753 |
| 2 | 2s | 4.640499 | -.82240007 |
| 3 | 3s | 3.855945 | -.30080782 |
| 4 | 4s | 15.669238 | .00621997 |
| 5 | 3s | 14.683193 | .00611865 |
| 6 | 5s | 33.084027 | .00021765 |
| 7 | 5s | 4.641982 | -.00273467 |
| 8 | 4s | 2.727721 | -.00116398 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669238 | < R2 > | .533300 | < 1/R > | 2.171051 | < 1/R**2 > | 19.415475 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193295 | .90716207 |
| 2 | 1s | 16.607906 | .09138058 |
| 3 | 2s | 6.093361 | .01902647 |
| 4 | 3s | 7.734261 | -.02090533 |
| 5 | 4s | 9.887327 | .01072609 |
| 6 | 5s | 28.736169 | .00102907 |
| 7 | 4s | 67.684946 | -.00004220 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130496 | < R2 > | .022911 | < 1/R > | 11.603164 | < 1/R**2 > | 272.032414 |
Total Energy= -196.16751120 a.u.
Kinetic Energy= 196.16886688 a.u.
Potential Energy= -392.33637808 a.u.
Virial Ratio = -1.99999309