(1s 2 2s 2 2p 2 5p 1 ) 2 S Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 3.435821 | .23703974 |
| 2 | 3p | 1.703471 | -1.92239822 |
| 3 | 4p | 1.374201 | 5.17204518 |
| 4 | 5p | 1.293825 | -3.76560955 |
| 5 | 2p | 6.831977 | .04622954 |
| 6 | 5p | 19.540528 | -.00109799 |
| 7 | 4p | 1.096993 | -.33683293 |
| 8 | 4p | 28.553841 | -.00032763 |
| ORB.ENERGY,a.u. | -.814510 | ||
| NORM | 1.000000 | < R > | 5.383410 | < R2 > | 32.571851 | < 1/R > | .266655 | < 1/R**2 > | .256784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.344965 | 1.19573935 |
| 2 | 3p | 5.219956 | -.22043270 |
| 3 | 2p | 11.779944 | .02102965 |
| 4 | 4p | 13.697139 | .00809944 |
| 5 | 5p | 19.873354 | -.00165110 |
| 6 | 5p | 3.512010 | .00067051 |
| 7 | 4p | 54.204492 | .00003357 |
| ORB.ENERGY,a.u. | -8.012000 | ||
| NORM | 1.000000 | < R > | .544777 | < R2 > | .362017 | < 1/R > | 2.342206 | < 1/R**2 > | 7.510108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.776383 | .37568265 |
| 2 | 2s | 4.908570 | -.82959078 |
| 3 | 3s | 5.090048 | -.27023782 |
| 4 | 4s | 19.266433 | .00265990 |
| 5 | 3s | 11.898331 | .01609776 |
| 6 | 5s | 5.052209 | -.03990147 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610240 | < R2 > | .437687 | < 1/R > | 2.384659 | < 1/R**2 > | 23.132322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156220 | .91174231 |
| 2 | 1s | 17.176013 | .08817282 |
| 3 | 2s | 10.282941 | .01906039 |
| 4 | 3s | 13.083592 | -.01555902 |
| 5 | 5s | 28.455365 | .00121267 |
| 6 | 4s | 69.277354 | -.00004012 |
| 7 | 5s | 8.997351 | .00062397 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129925 | < R2 > | .022662 | < 1/R > | 11.634482 | < 1/R**2 > | 273.156235 |
Total Energy= -180.80142084 a.u.
Kinetic Energy= 180.81401459 a.u.
Potential Energy= -361.61543543 a.u.
Virial Ratio = -1.99993035