(1s 2 2s 2 2p 2 3d 1 ) 2 F Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 2.050967 | 1.07155978 |
| 2 | 3d | 5.626221 | .02110796 |
| 3 | 4d | 2.500362 | -.08147810 |
| 4 | 5d | 18.344535 | -.00001850 |
| 5 | 4d | 32.430129 | .00001673 |
| ORB.ENERGY,a.u. | -2.046900 | ||
| NORM | 1.000000 | < R > | 1.683306 | < R2 > | 3.259941 | < 1/R > | .700514 | < 1/R**2 > | .599302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.353369 | 1.20418722 |
| 2 | 3p | 5.265619 | -.22735930 |
| 3 | 2p | 11.600772 | .02064615 |
| 4 | 4p | 12.549813 | .00487035 |
| 5 | 5p | 2.159050 | -.00464752 |
| 6 | 5p | 25.709073 | -.00033522 |
| 7 | 4p | 1.884441 | .00501634 |
| ORB.ENERGY,a.u. | -7.431200 | ||
| NORM | 1.000000 | < R > | .544760 | < R2 > | .362031 | < 1/R > | 2.342509 | < 1/R**2 > | 7.512531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.764724 | .37548320 |
| 2 | 2s | 4.914557 | -.82939475 |
| 3 | 3s | 5.061294 | -.27050135 |
| 4 | 4s | 19.318856 | .00265983 |
| 5 | 3s | 11.853901 | .01635708 |
| 6 | 5s | 4.953348 | -.04202119 |
| 7 | 5s | 3.038842 | -.00044739 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .611946 | < R2 > | .440556 | < 1/R > | 2.378873 | < 1/R**2 > | 23.031918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91174256 |
| 2 | 1s | 17.176796 | .08816560 |
| 3 | 2s | 10.302525 | .01904548 |
| 4 | 3s | 13.084773 | -.01555766 |
| 5 | 5s | 28.493165 | .00121165 |
| 6 | 4s | 69.189426 | -.00003954 |
| 7 | 5s | 8.912515 | .00064268 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022659 | < 1/R > | 11.635031 | < 1/R**2 > | 273.176936 |
Total Energy= -182.09008557 a.u.
Kinetic Energy= 182.04673286 a.u.
Potential Energy= -364.13681843 a.u.
Virial Ratio = -2.00023814