(1s 2 2s 1 4s 1 ) 1 S Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 8.381201 | .10031830 |
| 2 | 2s | 2.511837 | -1.52186994 |
| 3 | 3s | 2.439302 | 4.36232434 |
| 4 | 4s | 2.335122 | -3.60674212 |
| 5 | 5s | 3.794834 | .23790327 |
| 6 | 4s | 6.480634 | -.08079441 |
| 7 | 5s | 24.848273 | .00100262 |
| 8 | 4s | 35.191368 | .00017586 |
| ORB.ENERGY,a.u. | -2.726100 | ||
| NORM | .999999 | < R > | 2.478468 | < R2 > | 6.873504 | < 1/R > | .520288 | < 1/R**2 > | 1.212600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.546958 | .33304451 |
| 2 | 2s | 2.791450 | -.83652133 |
| 3 | 3s | 6.867522 | -.65232008 |
| 4 | 4s | 3.816005 | .57339771 |
| 5 | 5s | 2.210263 | -.15917847 |
| 6 | 5s | 15.391575 | -.00791892 |
| 7 | 4s | 24.011393 | -.00038530 |
| 8 | 4s | 1.485187 | .05025559 |
| 9 | 2s | 42.610660 | .00005482 |
| 10 | 5s | 1.270141 | -.01732485 |
| 11 | 3s | .819385 | .00709936 |
| ORB.ENERGY,a.u. | -12.985000 | ||
| NORM | 1.000000 | < R > | .564071 | < R2 > | .416952 | < 1/R > | 2.691784 | < 1/R**2 > | 29.312389 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.426490 | .93823144 |
| 2 | 1s | 18.686637 | .05124836 |
| 3 | 2s | 14.402957 | .01482976 |
| 4 | 3s | 9.186453 | .00228440 |
| 5 | 4s | 46.494000 | -.00063624 |
| 6 | 5s | 61.448852 | .00023729 |
| 7 | 5s | 5.016046 | .00046036 |
| 8 | 4s | 1.935073 | -.00037090 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129246 | < R2 > | .022381 | < 1/R > | 11.675100 | < 1/R**2 > | 274.664406 |
Total Energy= -152.82233442 a.u.
Kinetic Energy= 152.80752877 a.u.
Potential Energy= -305.62986320 a.u.
Virial Ratio = -2.00009689