(1s 2 2s 2 2p 4 3d 1 ) 4 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 1.462603 | 1.17739583 |
| 2 | 3d | 4.159749 | .05049896 |
| 3 | 4d | 1.854344 | -.20845646 |
| 4 | 5d | 6.495444 | -.00387649 |
| 5 | 5d | 1.320216 | .01368330 |
| 6 | 4d | 25.210496 | .00004518 |
| ORB.ENERGY,a.u. | -.949910 | ||
| NORM | 1.000000 | < R > | 2.354464 | < R2 > | 6.450622 | < 1/R > | .509890 | < 1/R**2 > | .326805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.516018 | 1.31436544 |
| 2 | 3p | 4.104676 | -.41001925 |
| 3 | 2p | 8.867085 | .08648022 |
| 4 | 4p | 10.136810 | .02306685 |
| 5 | 5p | 20.580619 | .00033787 |
| 6 | 5p | 2.710363 | .01486234 |
| 7 | 4p | 42.065770 | .00004234 |
| 8 | 4p | 2.533988 | -.01998163 |
| ORB.ENERGY,a.u. | -4.596300 | ||
| NORM | 1.000000 | < R > | .605892 | < R2 > | .455610 | < 1/R > | 2.146808 | < 1/R**2 > | 6.440578 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.815804 | .35009231 |
| 2 | 2s | 4.741324 | -.83371188 |
| 3 | 3s | 4.086370 | -.29563482 |
| 4 | 4s | 14.711579 | .01049034 |
| 5 | 3s | 16.529785 | .00492727 |
| 6 | 5s | 29.078385 | .00051025 |
| 7 | 5s | 3.434592 | -.00279512 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649590 | < R2 > | .500225 | < 1/R > | 2.236982 | < 1/R**2 > | 20.532610 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248481 | .91829112 |
| 2 | 1s | 16.927561 | .07951254 |
| 3 | 2s | 6.359948 | .01945811 |
| 4 | 3s | 7.916419 | -.02011497 |
| 5 | 4s | 10.075060 | .00975054 |
| 6 | 5s | 28.517638 | .00099427 |
| 7 | 4s | 64.380132 | -.00004906 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130345 | < R2 > | .022845 | < 1/R > | 11.611308 | < 1/R**2 > | 272.323085 |
Total Energy= -192.90842036 a.u.
Kinetic Energy= 192.93294905 a.u.
Potential Energy= -385.84136942 a.u.
Virial Ratio = -1.99987286