(1s 2 2s 2 2p 3 3p 1 ) 5 P Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 2.049328 | 1.15940404 |
| 2 | 3p | 2.139004 | -1.82676592 |
| 3 | 2p | 6.962256 | .10878206 |
| 4 | 4p | 4.013590 | -.14150406 |
| 5 | 5p | 10.556869 | .00782994 |
| 6 | 5p | 1.971252 | -.12834044 |
| 7 | 4p | 23.470032 | -.00061983 |
| 8 | 4p | 1.724296 | .07345714 |
| 9 | 5p | 71.500614 | -.00001725 |
| ORB.ENERGY,a.u. | -1.832900 | ||
| NORM | 1.000000 | < R > | 1.892789 | < R2 > | 4.094613 | < 1/R > | .707746 | < 1/R**2 > | 1.075795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.302238 | 1.40214607 |
| 2 | 3p | 5.668688 | -.50783313 |
| 3 | 4p | 7.158314 | .09757181 |
| 4 | 5p | 3.451716 | .01942941 |
| 5 | 4p | 18.499446 | -.00277169 |
| 6 | 3p | 22.933504 | -.00057269 |
| 7 | 5p | 2.923830 | -.00911069 |
| 8 | 3p | 1.832195 | .00401024 |
| ORB.ENERGY,a.u. | -6.180500 | ||
| NORM | 1.000000 | < R > | .571955 | < R2 > | .402126 | < 1/R > | 2.249028 | < 1/R**2 > | 6.983955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.729997 | .36513166 |
| 2 | 2s | 4.840649 | -.84603575 |
| 3 | 3s | 4.376080 | -.28721916 |
| 4 | 4s | 19.620153 | .00236828 |
| 5 | 3s | 11.548099 | .01801613 |
| 6 | 5s | 3.971499 | -.00772727 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .631527 | < R2 > | .470908 | < 1/R > | 2.301946 | < 1/R**2 > | 21.659986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.165890 | .91189178 |
| 2 | 1s | 17.090655 | .08747707 |
| 3 | 2s | 9.730336 | .01786364 |
| 4 | 3s | 13.882226 | -.01495297 |
| 5 | 4s | 21.987832 | .00341803 |
| 6 | 5s | 40.503082 | .00010217 |
| 7 | 5s | 8.346652 | .00070866 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130197 | < R2 > | .022779 | < 1/R > | 11.619233 | < 1/R**2 > | 272.605396 |
Total Energy= -188.65679049 a.u.
Kinetic Energy= 188.69267552 a.u.
Potential Energy= -377.34946601 a.u.
Virial Ratio = -1.99980982