(1s 2 2s 2 2p 5 4d 1 ) 3 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | .852132 | 1.39260749 |
| 2 | 4d | .750471 | -1.89767878 |
| 3 | 3d | 3.733464 | .02604983 |
| 4 | 4d | 2.307101 | .02324421 |
| 5 | 5d | 6.081111 | -.00282817 |
| 6 | 4d | 22.016412 | .00002855 |
| ORB.ENERGY,a.u. | -.286240 | ||
| NORM | .999998 | < R > | 6.811790 | < R2 > | 53.347033 | < 1/R > | .197708 | < 1/R**2 > | .066701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.355613 | 1.33643061 |
| 2 | 3p | 4.028134 | -.43407655 |
| 3 | 2p | 8.643581 | .09257840 |
| 4 | 3p | 16.209677 | .00010097 |
| 5 | 5p | 2.243926 | .00912008 |
| 6 | 4p | 10.011843 | .02145000 |
| 7 | 4p | 1.881721 | -.00826326 |
| 8 | 5p | 31.688388 | -.00010393 |
| ORB.ENERGY,a.u. | -3.714400 | ||
| NORM | 1.000000 | < R > | .640183 | < R2 > | .513425 | < 1/R > | 2.054069 | < 1/R**2 > | 5.965299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891398 | .33581194 |
| 2 | 2s | 4.636383 | -.82505104 |
| 3 | 3s | 3.826346 | -.30265081 |
| 4 | 4s | 15.729354 | .00595875 |
| 5 | 3s | 14.476490 | .00637033 |
| 6 | 5s | 33.240323 | .00022327 |
| 7 | 5s | 2.746928 | -.00112901 |
| 8 | 4s | 3.063183 | .00208379 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669211 | < R2 > | .533286 | < 1/R > | 2.171244 | < 1/R**2 > | 19.419204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716084 |
| 2 | 1s | 16.607703 | .09138046 |
| 3 | 2s | 6.095618 | .01901482 |
| 4 | 3s | 7.738199 | -.02089503 |
| 5 | 4s | 9.892028 | .01071736 |
| 6 | 5s | 28.774212 | .00103354 |
| 7 | 4s | 67.708927 | -.00004115 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603308 | < 1/R**2 > | 272.037670 |
Total Energy= -196.23034187 a.u.
Kinetic Energy= 196.22669433 a.u.
Potential Energy= -392.45703620 a.u.
Virial Ratio = -2.00001859