(1s 2 2s 2 2p 5 4d 1 ) 1 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .852097 | 1.39275206 |
| 2 | 4d | .750477 | -1.89784616 |
| 3 | 3d | 3.732962 | .02606032 |
| 4 | 4d | 2.306589 | .02324971 |
| 5 | 5d | 6.079948 | -.00283205 |
| 6 | 4d | 22.010438 | .00002859 |
| ORB.ENERGY,a.u. | -.286240 | ||
| NORM | .999998 | < R > | 6.811790 | < R2 > | 53.347016 | < 1/R > | .197708 | < 1/R**2 > | .066701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.337067 | 1.35073766 |
| 2 | 3p | 4.003238 | -.44822887 |
| 3 | 2p | 8.632022 | .09328900 |
| 4 | 4p | 10.017933 | .02139363 |
| 5 | 3p | 17.593738 | .00007248 |
| 6 | 5p | 2.282667 | .01765982 |
| 7 | 4p | 1.985624 | -.01873714 |
| 8 | 5p | 31.768260 | -.00010210 |
| ORB.ENERGY,a.u. | -3.714400 | ||
| NORM | 1.000000 | < R > | .640183 | < R2 > | .513425 | < 1/R > | 2.054070 | < 1/R**2 > | 5.965302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891360 | .33581398 |
| 2 | 2s | 4.636433 | -.82505872 |
| 3 | 3s | 3.825852 | -.30274957 |
| 4 | 4s | 15.717831 | .00599229 |
| 5 | 3s | 14.498692 | .00634406 |
| 6 | 5s | 33.207683 | .00022374 |
| 7 | 5s | 2.764714 | -.00118337 |
| 8 | 4s | 3.072567 | .00224145 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669211 | < R2 > | .533285 | < 1/R > | 2.171245 | < 1/R**2 > | 19.419207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90715944 |
| 2 | 1s | 16.607624 | .09138188 |
| 3 | 2s | 6.095574 | .01901496 |
| 4 | 3s | 7.738175 | -.02089507 |
| 5 | 4s | 9.892057 | .01071731 |
| 6 | 5s | 28.772686 | .00103354 |
| 7 | 4s | 67.711767 | -.00004121 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603308 | < 1/R**2 > | 272.037679 |
Total Energy= -196.23034795 a.u.
Kinetic Energy= 196.22672929 a.u.
Potential Energy= -392.45707724 a.u.
Virial Ratio = -2.00001844