(1s 2 2s 2 2p 4 3d 1 ) 2 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 1.367430 | 1.03896256 |
| 2 | 3d | 4.977920 | .01211691 |
| 3 | 4d | 1.810336 | -.04658062 |
| 4 | 5d | 7.098997 | -.00092046 |
| 5 | 5d | 1.289406 | .00599894 |
| 6 | 4d | 26.465386 | .00001906 |
| ORB.ENERGY,a.u. | -.903970 | ||
| NORM | 1.000000 | < R > | 2.562367 | < R2 > | 7.532206 | < 1/R > | .458472 | < 1/R**2 > | .255743 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 4p | 10.589534 | .01767248 |
| 2 | 2p | 3.679904 | 1.27111106 |
| 3 | 3p | 4.378547 | -.34633139 |
| 4 | 5p | 63.611335 | .00001551 |
| 5 | 5p | 1.501061 | -.00023048 |
| 6 | 2p | 9.217110 | .06915153 |
| ORB.ENERGY,a.u. | -4.550400 | ||
| NORM | 1.000000 | < R > | .603332 | < R2 > | .450832 | < 1/R > | 2.152540 | < 1/R**2 > | 6.467726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.819937 | .34995656 |
| 2 | 2s | 4.738820 | -.83367693 |
| 3 | 3s | 4.092640 | -.29535978 |
| 4 | 4s | 14.682720 | .01060465 |
| 5 | 3s | 16.741498 | .00477750 |
| 6 | 5s | 28.468928 | .00056575 |
| 7 | 5s | 3.456954 | -.00247049 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649316 | < R2 > | .499682 | < 1/R > | 2.237613 | < 1/R**2 > | 20.542160 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829192 |
| 2 | 1s | 16.927756 | .07951364 |
| 3 | 2s | 6.353879 | .01948901 |
| 4 | 3s | 7.906517 | -.02014107 |
| 5 | 4s | 10.063878 | .00977014 |
| 6 | 5s | 28.429243 | .00098384 |
| 7 | 4s | 64.408600 | -.00005192 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610977 | < 1/R**2 > | 272.310948 |
Total Energy= -192.90610502 a.u.
Kinetic Energy= 192.88695908 a.u.
Potential Energy= -385.79306411 a.u.
Virial Ratio = -2.00009926