(1s 2 2s 2 2p 1 3d 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 2.327098 | 1.05017661 |
| 2 | 3d | 6.157866 | .01996696 |
| 3 | 4d | 2.642018 | -.05504924 |
| 4 | 5d | 20.525103 | -.00014572 |
| 5 | 5d | 2.311002 | -.00716778 |
| ORB.ENERGY,a.u. | -2.733500 | ||
| NORM | 1.000000 | < R > | 1.475107 | < R2 > | 2.498493 | < 1/R > | .797134 | < 1/R**2 > | .772693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.693132 | 1.07993807 |
| 2 | 3p | 5.743071 | -.10193349 |
| 3 | 2p | 11.177035 | .02161992 |
| 4 | 5p | 13.381771 | .00339124 |
| 5 | 4p | 23.980017 | -.00062203 |
| 6 | 5p | 4.526846 | .00978878 |
| 7 | 5p | 72.149111 | -.00001332 |
| 8 | 4p | 3.533406 | -.00428966 |
| ORB.ENERGY,a.u. | -8.841300 | ||
| NORM | 1.000000 | < R > | .519656 | < R2 > | .327624 | < 1/R > | 2.439623 | < 1/R**2 > | 8.086576 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.543948 | .34518715 |
| 2 | 2s | 4.255795 | -.79692689 |
| 3 | 3s | 6.437907 | -.27600683 |
| 4 | 4s | 22.807732 | .00144312 |
| 5 | 5s | 12.608836 | -.01441804 |
| 6 | 5s | 4.895215 | .01726648 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .594385 | < R2 > | .414404 | < 1/R > | 2.453167 | < 1/R**2 > | 24.388683 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194804 | .92225589 |
| 2 | 1s | 17.362429 | .07960260 |
| 3 | 2s | 9.733069 | .01716570 |
| 4 | 3s | 12.391729 | -.01612251 |
| 5 | 4s | 58.666117 | -.00007596 |
| 6 | 5s | 27.997998 | .00091846 |
| 7 | 4s | 5.328068 | .00006164 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129623 | < R2 > | .022534 | < 1/R > | 11.651704 | < 1/R**2 > | 273.782062 |
Total Energy= -174.55969977 a.u.
Kinetic Energy= 174.46618710 a.u.
Potential Energy= -349.02588686 a.u.
Virial Ratio = -2.00053599