(1s 2 2s 2 2p 5 5p 1 ) 1 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2.904480 | .08831688 |
| 2 | 3p | 1.179878 | -.83382087 |
| 3 | 4p | .766734 | 2.75234422 |
| 4 | 5p | .684571 | -2.66715420 |
| 5 | 2p | 6.464872 | .03564629 |
| 6 | 5p | 8.557918 | .00372179 |
| 7 | 4p | 21.935127 | -.00025438 |
| ORB.ENERGY,a.u. | -.226510 | ||
| NORM | .999994 | < R > | 9.645998 | < R2 > | 104.645521 | < 1/R > | .145889 | < 1/R**2 > | .080026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.350937 | 1.31266712 |
| 2 | 3p | 4.006605 | -.41605513 |
| 3 | 2p | 8.626299 | .09569094 |
| 4 | 4p | 9.833141 | .02405048 |
| 5 | 4p | .437194 | -.00577773 |
| 6 | 5p | 2.537080 | .00104385 |
| 7 | 3p | 11.051713 | .00129969 |
| 8 | 3p | .353071 | .00529400 |
| 9 | 5p | 31.773579 | -.00011748 |
| ORB.ENERGY,a.u. | -3.794000 | ||
| NORM | 1.000000 | < R > | .640009 | < R2 > | .513048 | < 1/R > | 2.054230 | < 1/R**2 > | 5.965573 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891735 | .33575951 |
| 2 | 2s | 4.635963 | -.82511478 |
| 3 | 3s | 3.824917 | -.30272943 |
| 4 | 4s | 15.631964 | .00613389 |
| 5 | 3s | 14.592899 | .00625293 |
| 6 | 5s | 32.793919 | .00023545 |
| 7 | 5s | 2.487739 | -.00172380 |
| 8 | 4s | 2.865787 | .00232149 |
| 9 | 3s | 1.349078 | .00057850 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669234 | < R2 > | .533291 | < 1/R > | 2.171056 | < 1/R**2 > | 19.415527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193295 | .90716208 |
| 2 | 1s | 16.607906 | .09138058 |
| 3 | 2s | 6.093274 | .01902679 |
| 4 | 3s | 7.734241 | -.02090539 |
| 5 | 4s | 9.887260 | .01072599 |
| 6 | 5s | 28.735961 | .00102912 |
| 7 | 4s | 67.688542 | -.00004219 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130496 | < R2 > | .022911 | < 1/R > | 11.603164 | < 1/R**2 > | 272.032414 |
Total Energy= -196.16752520 a.u.
Kinetic Energy= 196.16695036 a.u.
Potential Energy= -392.33447555 a.u.
Virial Ratio = -2.00000293