(1s 2 2s 2 2p 4 4s 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 10.742794 | .05607113 |
| 2 | 2s | 1.748742 | -1.10196806 |
| 3 | 3s | 1.875916 | 2.21146480 |
| 4 | 4s | 1.178372 | -1.55578242 |
| 5 | 5s | 2.780433 | -.23366376 |
| 6 | 4s | 9.074417 | -.03086807 |
| 7 | 5s | 17.711897 | -.00436997 |
| 8 | 5s | 1.118712 | .11741831 |
| 9 | 4s | 25.923299 | -.00120895 |
| 10 | 5s | 77.218121 | -.00002778 |
| ORB.ENERGY,a.u. | -.716990 | ||
| NORM | .999999 | < R > | 4.217965 | < R2 > | 19.983145 | < 1/R > | .323020 | < 1/R**2 > | .747952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.268999 | .06716915 |
| 2 | 4p | 10.675801 | .01704753 |
| 3 | 2p | 3.683932 | 1.27506893 |
| 4 | 5p | 61.978582 | .00001718 |
| 5 | 5p | 2.717700 | .00094652 |
| 6 | 3p | 4.392915 | -.34819571 |
| ORB.ENERGY,a.u. | -4.785800 | ||
| NORM | 1.000000 | < R > | .604187 | < R2 > | .452304 | < 1/R > | 2.150201 | < 1/R**2 > | 6.455472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.740831 | .30656189 |
| 2 | 2s | 3.935544 | -.76087165 |
| 3 | 3s | 6.536840 | -.23508936 |
| 4 | 4s | 4.755158 | -.06394460 |
| 5 | 5s | 13.727266 | -.01168685 |
| 6 | 5s | 1.346932 | -.01239338 |
| 7 | 3s | 1.032775 | .00662977 |
| 8 | 3s | 45.584261 | -.00011805 |
| 9 | 4s | 76.186026 | .00002853 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .647731 | < R2 > | .497417 | < 1/R > | 2.242575 | < 1/R**2 > | 20.623336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.249874 | .91875150 |
| 2 | 1s | 17.005038 | .07859754 |
| 3 | 2s | 7.478891 | .01688450 |
| 4 | 3s | 9.812897 | -.01448474 |
| 5 | 4s | 11.776961 | .00724124 |
| 6 | 5s | 29.075229 | .00110984 |
| 7 | 4s | 69.250158 | -.00003521 |
| 8 | 5s | 1.401190 | .00098362 |
| 9 | 4s | 1.381992 | -.00068878 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130357 | < R2 > | .022853 | < 1/R > | 11.610603 | < 1/R**2 > | 272.296979 |
Total Energy= -192.70699580 a.u.
Kinetic Energy= 192.69921733 a.u.
Potential Energy= -385.40621313 a.u.
Virial Ratio = -2.00004037