(1s 2 2s 2 2p 3 3d 1 ) 3 D Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.701652 | 1.06097345 |
| 2 | 3d | 4.869684 | .02630686 |
| 3 | 4d | 2.073109 | -.07097285 |
| 4 | 5d | 6.885031 | -.00320402 |
| 5 | 4d | 27.678215 | .00003114 |
| ORB.ENERGY,a.u. | -1.415200 | ||
| NORM | 1.000000 | < R > | 2.029118 | < R2 > | 4.737188 | < 1/R > | .581581 | < 1/R**2 > | .414220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.270737 | 1.43020712 |
| 2 | 3p | 5.534731 | -.55191086 |
| 3 | 4p | 6.884742 | .11431414 |
| 4 | 5p | 21.630436 | -.00275831 |
| 5 | 4p | 2.956300 | .01418782 |
| 6 | 4p | 30.457568 | -.00090441 |
| 7 | 5p | 2.893354 | -.00536909 |
| 8 | 5p | 98.499362 | -.00001540 |
| ORB.ENERGY,a.u. | -6.140500 | ||
| NORM | 1.000000 | < R > | .569785 | < R2 > | .398409 | < 1/R > | 2.254911 | < 1/R**2 > | 7.014647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.759916 | .36415222 |
| 2 | 2s | 4.836416 | -.83854837 |
| 3 | 3s | 4.498310 | -.28052294 |
| 4 | 4s | 19.261096 | .00248928 |
| 5 | 3s | 11.849518 | .01598923 |
| 6 | 5s | 4.501130 | -.01957931 |
| 7 | 4s | 2.250083 | -.00030977 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .630400 | < R2 > | .469121 | < 1/R > | 2.306263 | < 1/R**2 > | 21.736194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.167526 | .91184334 |
| 2 | 1s | 17.087993 | .08750298 |
| 3 | 2s | 9.790676 | .01780776 |
| 4 | 3s | 13.873682 | -.01495496 |
| 5 | 4s | 22.021680 | .00341614 |
| 6 | 5s | 40.256288 | .00010230 |
| 7 | 5s | 8.182954 | .00074198 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130164 | < R2 > | .022765 | < 1/R > | 11.621187 | < 1/R**2 > | 272.677192 |
Total Energy= -188.31182667 a.u.
Kinetic Energy= 188.27569403 a.u.
Potential Energy= -376.58752071 a.u.
Virial Ratio = -2.00019191