(1s 2 2s 2 2p 3 4d 1 ) 3 D Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 1.413916 | 1.41550022 |
| 2 | 4d | 1.252116 | -1.92196575 |
| 3 | 3d | 5.328515 | .01791475 |
| 4 | 4d | 3.554579 | .01999762 |
| 5 | 5d | 15.354491 | -.00010883 |
| ORB.ENERGY,a.u. | -.795400 | ||
| NORM | 1.000000 | < R > | 4.096952 | < R2 > | 19.261324 | < 1/R > | .325877 | < 1/R**2 > | .176916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.268173 | 1.43239904 |
| 2 | 3p | 5.539704 | -.55154383 |
| 3 | 4p | 6.903143 | .11277637 |
| 4 | 5p | 21.580907 | -.00273830 |
| 5 | 4p | 2.753001 | .01107129 |
| 6 | 4p | 30.311569 | -.00091273 |
| 7 | 5p | 2.598823 | -.00677946 |
| 8 | 3p | 1.694357 | .00283955 |
| 9 | 5p | 97.655513 | -.00001574 |
| ORB.ENERGY,a.u. | -6.472900 | ||
| NORM | 1.000000 | < R > | .569665 | < R2 > | .398194 | < 1/R > | 2.255149 | < 1/R**2 > | 7.015592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.754974 | .36481768 |
| 2 | 2s | 4.840709 | -.83938976 |
| 3 | 3s | 4.504819 | -.28047074 |
| 4 | 4s | 19.392850 | .00245063 |
| 5 | 3s | 11.773272 | .01645132 |
| 6 | 5s | 4.620153 | -.01895178 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .629531 | < R2 > | .467573 | < 1/R > | 2.308891 | < 1/R**2 > | 21.779735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.167526 | .91184187 |
| 2 | 1s | 17.087800 | .08750382 |
| 3 | 2s | 9.788524 | .01781088 |
| 4 | 3s | 13.872679 | -.01495538 |
| 5 | 4s | 22.022587 | .00341616 |
| 6 | 5s | 40.226509 | .00010222 |
| 7 | 5s | 8.184992 | .00073880 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130164 | < R2 > | .022766 | < 1/R > | 11.621161 | < 1/R**2 > | 272.676125 |
Total Energy= -187.67275253 a.u.
Kinetic Energy= 187.65586427 a.u.
Potential Energy= -375.32861681 a.u.
Virial Ratio = -2.00009000