(1s 2 2s 2 2p 5 5p 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.911606 | .08495060 |
| 2 | 3p | 1.175250 | -.83454667 |
| 3 | 4p | .764395 | 2.77163490 |
| 4 | 5p | .683807 | -2.68462388 |
| 5 | 2p | 6.384993 | .03783791 |
| 6 | 5p | 8.422691 | .00431199 |
| 7 | 4p | 21.636997 | -.00028681 |
| ORB.ENERGY,a.u. | -.226070 | ||
| NORM | .999998 | < R > | 9.660112 | < R2 > | 104.975321 | < 1/R > | .146102 | < 1/R**2 > | .081414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.341498 | 1.34508586 |
| 2 | 3p | 4.009061 | -.44246762 |
| 3 | 2p | 8.625382 | .09356009 |
| 4 | 4p | 10.009627 | .02140906 |
| 5 | 3p | 18.739978 | .00005705 |
| 6 | 5p | 2.487208 | .01039986 |
| 7 | 4p | 2.260974 | -.01186998 |
| 8 | 3p | .257509 | -.00018627 |
| 9 | 5p | 31.992358 | -.00009976 |
| ORB.ENERGY,a.u. | -3.793500 | ||
| NORM | 1.000000 | < R > | .640056 | < R2 > | .513109 | < 1/R > | 2.054160 | < 1/R**2 > | 5.965329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891734 | .33575965 |
| 2 | 2s | 4.635535 | -.82525937 |
| 3 | 3s | 3.822980 | -.30291038 |
| 4 | 4s | 15.663965 | .00611708 |
| 5 | 3s | 14.575202 | .00625043 |
| 6 | 5s | 33.037878 | .00022957 |
| 7 | 5s | 2.477506 | -.00177780 |
| 8 | 4s | 3.016092 | .00248956 |
| 9 | 3s | 1.462483 | .00082906 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669234 | < R2 > | .533292 | < 1/R > | 2.171057 | < 1/R**2 > | 19.415553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193295 | .90716197 |
| 2 | 1s | 16.607906 | .09138057 |
| 3 | 2s | 6.093369 | .01902702 |
| 4 | 3s | 7.734419 | -.02090490 |
| 5 | 4s | 9.887546 | .01072547 |
| 6 | 5s | 28.735807 | .00102904 |
| 7 | 4s | 67.686660 | -.00004221 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130496 | < R2 > | .022911 | < 1/R > | 11.603163 | < 1/R**2 > | 272.032363 |
Total Energy= -196.16753272 a.u.
Kinetic Energy= 196.16650659 a.u.
Potential Energy= -392.33403932 a.u.
Virial Ratio = -2.00000523