(1s 2 2s 2 2p 3 5s 1 ) 5 S Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 9.942156 | .05686131 |
| 2 | 2s | 3.485284 | -.28195298 |
| 3 | 3s | 1.542436 | 2.00463821 |
| 4 | 4s | 1.381465 | -3.64490452 |
| 5 | 5s | 1.113788 | 2.43026335 |
| 6 | 4s | 9.481661 | -.01165994 |
| 7 | 5s | 24.273164 | .00012558 |
| 8 | 4s | .693666 | -.01415412 |
| ORB.ENERGY,a.u. | -.631310 | ||
| NORM | .999996 | < R > | 5.963611 | < R2 > | 39.800951 | < 1/R > | .239861 | < 1/R**2 > | .584596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.263492 | 1.43758983 |
| 2 | 3p | 5.545289 | -.55475424 |
| 3 | 4p | 6.942731 | .11183178 |
| 4 | 5p | 20.207381 | -.00234244 |
| 5 | 4p | 2.435036 | .01233668 |
| 6 | 4p | 24.486038 | -.00131296 |
| 7 | 5p | 2.416358 | -.01003933 |
| 8 | 3p | 1.506510 | .00306670 |
| 9 | 3p | 27.401159 | -.00030152 |
| ORB.ENERGY,a.u. | -6.631500 | ||
| NORM | 1.000000 | < R > | .569790 | < R2 > | .398328 | < 1/R > | 2.254534 | < 1/R**2 > | 7.011629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.639479 | .32031392 |
| 2 | 2s | 4.000636 | -.76709886 |
| 3 | 3s | 6.933357 | -.25662518 |
| 4 | 4s | 18.682508 | .00347426 |
| 5 | 5s | 6.532165 | -.05241241 |
| 6 | 4s | .980253 | .03669974 |
| 7 | 5s | 1.086371 | -.03612235 |
| 8 | 2s | 19.952582 | -.00095150 |
| 9 | 3s | 1.550050 | -.00416454 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .629512 | < R2 > | .467940 | < 1/R > | 2.309108 | < 1/R**2 > | 21.783690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.168611 | .91051343 |
| 2 | 1s | 16.985985 | .08892867 |
| 3 | 2s | 9.327629 | .01796028 |
| 4 | 3s | 13.480098 | -.01524476 |
| 5 | 4s | 21.047737 | .00361455 |
| 6 | 5s | 38.782941 | .00022936 |
| 7 | 5s | 7.019025 | .00037354 |
| 8 | 4s | 1.290726 | -.00212557 |
| 9 | 3s | .941178 | .00216561 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130163 | < R2 > | .022768 | < 1/R > | 11.621203 | < 1/R**2 > | 272.676890 |
Total Energy= -187.48724064 a.u.
Kinetic Energy= 187.49123714 a.u.
Potential Energy= -374.97847778 a.u.
Virial Ratio = -1.99997868