(1s 2 2s 2 2p 4 5d 1 ) 2 F Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 1.058804 | 1.34382737 |
| 2 | 4d | .822277 | -5.08999512 |
| 3 | 5d | .809291 | 4.47120169 |
| 4 | 3d | 2.528598 | .06127148 |
| 5 | 5d | 3.784711 | -.01539892 |
| 6 | 4d | 7.072170 | .00501930 |
| 7 | 5d | 11.974646 | .00016030 |
| 8 | 3d | 9.688151 | .00102067 |
| ORB.ENERGY,a.u. | -.328610 | ||
| NORM | .999999 | < R > | 8.352034 | < R2 > | 79.394481 | < 1/R > | .169718 | < 1/R**2 > | .062919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.683093 | 1.26371485 |
| 2 | 3p | 4.382159 | -.34001685 |
| 3 | 5p | 3.060384 | .00106938 |
| 4 | 5p | 64.631637 | .00001471 |
| 5 | 2p | 9.192471 | .07002471 |
| 6 | 4p | 10.552174 | .01796331 |
| ORB.ENERGY,a.u. | -4.929600 | ||
| NORM | 1.000000 | < R > | .603647 | < R2 > | .451456 | < 1/R > | 2.151895 | < 1/R**2 > | 6.464747 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.827898 | .34976712 |
| 2 | 2s | 4.734374 | -.83263592 |
| 3 | 3s | 4.112325 | -.29415555 |
| 4 | 4s | 14.911987 | .00968855 |
| 5 | 3s | 16.209782 | .00505438 |
| 6 | 5s | 30.039397 | .00041451 |
| 7 | 5s | 3.990537 | -.00305844 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648711 | < R2 > | .498547 | < 1/R > | 2.239265 | < 1/R**2 > | 20.568463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829259 |
| 2 | 1s | 16.927960 | .07951275 |
| 3 | 2s | 6.355234 | .01948393 |
| 4 | 3s | 7.907894 | -.02013702 |
| 5 | 4s | 10.064782 | .00976872 |
| 6 | 5s | 28.442694 | .00098466 |
| 7 | 4s | 64.400704 | -.00005150 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610999 | < 1/R**2 > | 272.311676 |
Total Energy= -192.31380973 a.u.
Kinetic Energy= 192.31156166 a.u.
Potential Energy= -384.62537139 a.u.
Virial Ratio = -2.00001169