(1s 2 2s 2 2p 2 3d 1 ) 4 F Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 2.131423 | 1.15092793 |
| 2 | 3d | 5.003423 | .05019641 |
| 3 | 4d | 2.527959 | -.18211936 |
| 4 | 5d | 28.083574 | .00003115 |
| 5 | 4d | 14.677196 | -.00018317 |
| 6 | 3d | 23.169666 | .00001705 |
| ORB.ENERGY,a.u. | -2.137000 | ||
| NORM | 1.000000 | < R > | 1.576614 | < R2 > | 2.883244 | < 1/R > | .755793 | < 1/R**2 > | .706434 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.168360 | 1.24936562 |
| 2 | 3p | 4.830073 | -.29082903 |
| 3 | 2p | 10.958155 | .03107162 |
| 4 | 4p | 12.702071 | .01219004 |
| 5 | 5p | 18.346001 | -.00194086 |
| 6 | 5p | 2.977130 | .00167615 |
| 7 | 4p | 50.339687 | .00004437 |
| ORB.ENERGY,a.u. | -7.521200 | ||
| NORM | 1.000000 | < R > | .549519 | < R2 > | .369448 | < 1/R > | 2.327886 | < 1/R**2 > | 7.434056 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.754867 | .37584532 |
| 2 | 2s | 4.921879 | -.82950816 |
| 3 | 3s | 5.048054 | -.27081660 |
| 4 | 4s | 19.311333 | .00265762 |
| 5 | 3s | 11.835757 | .01661694 |
| 6 | 5s | 4.947041 | -.04293094 |
| 7 | 5s | 2.993425 | -.00040951 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612328 | < R2 > | .441196 | < 1/R > | 2.377545 | < 1/R**2 > | 23.008087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.157037 | .91173678 |
| 2 | 1s | 17.176898 | .08816344 |
| 3 | 2s | 10.319531 | .01903427 |
| 4 | 3s | 13.084019 | -.01555764 |
| 5 | 5s | 28.505909 | .00121162 |
| 6 | 4s | 69.144556 | -.00003970 |
| 7 | 5s | 8.878173 | .00064967 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129908 | < R2 > | .022655 | < 1/R > | 11.635526 | < 1/R**2 > | 273.195293 |
Total Energy= -182.09069076 a.u.
Kinetic Energy= 182.13691328 a.u.
Potential Energy= -364.22760404 a.u.
Virial Ratio = -1.99974622