(1s 2 2s 2 2p 4 5d 1 ) 2 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | .994042 | 1.69096220 |
| 2 | 4d | .825561 | -5.40919385 |
| 3 | 5d | .801150 | 4.44746660 |
| 4 | 3d | 2.586226 | .02155578 |
| 5 | 5d | 4.082479 | -.00529898 |
| 6 | 4d | 7.169664 | .00285076 |
| 7 | 5d | 12.152815 | .00010886 |
| 8 | 3d | 9.858911 | .00064572 |
| ORB.ENERGY,a.u. | -.323830 | ||
| NORM | 1.000007 | < R > | 8.505378 | < R2 > | 82.169328 | < 1/R > | .164054 | < 1/R**2 > | .055920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.662147 | 1.28198671 |
| 2 | 3p | 4.354706 | -.35654281 |
| 3 | 2p | 9.317527 | .06779577 |
| 4 | 4p | 10.654815 | .01978190 |
| 5 | 5p | 24.344981 | .00033022 |
| 6 | 5p | 2.717452 | .00903236 |
| 7 | 4p | 41.269793 | .00007979 |
| 8 | 4p | 2.479736 | -.01101386 |
| ORB.ENERGY,a.u. | -4.924800 | ||
| NORM | 1.000000 | < R > | .603379 | < R2 > | .450979 | < 1/R > | 2.152523 | < 1/R**2 > | 6.467738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.827900 | .34978047 |
| 2 | 2s | 4.735688 | -.83274715 |
| 3 | 3s | 4.113078 | -.29417334 |
| 4 | 4s | 14.826091 | .01004619 |
| 5 | 3s | 16.471566 | .00498124 |
| 6 | 5s | 29.206108 | .00044251 |
| 7 | 5s | 4.046970 | -.00319666 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648686 | < R2 > | .498499 | < 1/R > | 2.239332 | < 1/R**2 > | 20.569540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829118 |
| 2 | 1s | 16.927568 | .07951446 |
| 3 | 2s | 6.353753 | .01948986 |
| 4 | 3s | 7.905952 | -.02014249 |
| 5 | 4s | 10.063333 | .00977132 |
| 6 | 5s | 28.421963 | .00098325 |
| 7 | 4s | 64.426131 | -.00005232 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610963 | < 1/R**2 > | 272.310347 |
Total Energy= -192.31284332 a.u.
Kinetic Energy= 192.30677826 a.u.
Potential Energy= -384.61962158 a.u.
Virial Ratio = -2.00003154