(1s 2 2s 2 2p 5 4p 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4.900181 | .14113339 |
| 2 | 3p | .514308 | 2.89877770 |
| 3 | 4p | 1.544823 | -.89897712 |
| 4 | 5p | 2.988722 | -.12538522 |
| 5 | 3p | 7.113829 | -.01905580 |
| 6 | 5p | .664792 | -1.56301443 |
| 7 | 4p | .385294 | -.20533277 |
| 8 | 4p | 20.855319 | -.00035037 |
| 9 | 5p | 63.605085 | -.00001004 |
| 10 | 5p | .371588 | .05986984 |
| ORB.ENERGY,a.u. | -.377040 | ||
| NORM | 1.000000 | < R > | 5.686739 | < R2 > | 36.596089 | < 1/R > | .241353 | < 1/R**2 > | .174283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.341290 | 1.32028448 |
| 2 | 3p | 3.990393 | -.42398973 |
| 3 | 2p | 8.591546 | .09680762 |
| 4 | 4p | 9.891467 | .02355902 |
| 5 | 5p | 18.617717 | .00032463 |
| 6 | 5p | 2.434472 | .00113043 |
| 7 | 4p | 48.475962 | .00001849 |
| 8 | 4p | .618718 | .00024666 |
| ORB.ENERGY,a.u. | -3.689600 | ||
| NORM | 1.000000 | < R > | .640299 | < R2 > | .513559 | < 1/R > | 2.053593 | < 1/R**2 > | 5.962536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.893346 | .33556527 |
| 2 | 2s | 4.634280 | -.82474929 |
| 3 | 3s | 3.826904 | -.30230826 |
| 4 | 4s | 15.830801 | .00575692 |
| 5 | 3s | 14.348258 | .00648796 |
| 6 | 5s | 33.658713 | .00021444 |
| 7 | 5s | 2.414151 | -.00128446 |
| 8 | 4s | 3.059943 | .00118542 |
| 9 | 3s | 1.255967 | .00057951 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669487 | < R2 > | .533754 | < 1/R > | 2.170320 | < 1/R**2 > | 19.403563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193159 | .90716412 |
| 2 | 1s | 16.608273 | .09137988 |
| 3 | 2s | 6.092879 | .01903069 |
| 4 | 3s | 7.732606 | -.02090973 |
| 5 | 4s | 9.884532 | .01073533 |
| 6 | 5s | 28.710952 | .00102508 |
| 7 | 4s | 67.624836 | -.00004297 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130498 | < R2 > | .022912 | < 1/R > | 11.603041 | < 1/R**2 > | 272.027931 |
Total Energy= -196.31979237 a.u.
Kinetic Energy= 196.31745760 a.u.
Potential Energy= -392.63724998 a.u.
Virial Ratio = -2.00001189