(1s 2 2s 2 2p 4 5p 1 ) 4 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 3.061282 | .13860223 |
| 2 | 3p | 1.349128 | -1.16289317 |
| 3 | 4p | 1.012416 | 3.09509934 |
| 4 | 5p | .880168 | -2.67662479 |
| 5 | 2p | 6.305218 | .04948401 |
| 6 | 5p | 16.320724 | -.00146320 |
| 7 | 4p | 24.147873 | -.00051919 |
| 8 | 2p | 1.888355 | -.02410947 |
| 9 | 4p | .522064 | .00281299 |
| 10 | 5p | 80.325156 | -.00000795 |
| ORB.ENERGY,a.u. | -.386000 | ||
| NORM | 1.000000 | < R > | 7.556072 | < R2 > | 64.191198 | < 1/R > | .188435 | < 1/R**2 > | .134846 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.682017 | 1.26455453 |
| 2 | 2p | 9.184931 | .07013010 |
| 3 | 3p | 4.385201 | -.34054507 |
| 4 | 4p | 10.519069 | .01803144 |
| 5 | 5p | 2.426250 | .00486611 |
| 6 | 5p | 66.938811 | .00001344 |
| 7 | 4p | 1.946924 | -.00446092 |
| 8 | 3p | .524206 | .00027945 |
| ORB.ENERGY,a.u. | -4.927400 | ||
| NORM | 1.000000 | < R > | .603677 | < R2 > | .451482 | < 1/R > | 2.151719 | < 1/R**2 > | 6.463596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.828117 | .34968761 |
| 2 | 2s | 4.733813 | -.83262160 |
| 3 | 3s | 4.110606 | -.29432110 |
| 4 | 4s | 14.854117 | .00948548 |
| 5 | 3s | 15.991217 | .00530164 |
| 6 | 5s | 30.035057 | .00041827 |
| 7 | 5s | 3.988578 | -.00288512 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648809 | < R2 > | .498692 | < 1/R > | 2.238859 | < 1/R**2 > | 20.561226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247932 | .91829778 |
| 2 | 1s | 16.928673 | .07951179 |
| 3 | 2s | 6.352098 | .01949704 |
| 4 | 3s | 7.901887 | -.02015318 |
| 5 | 4s | 10.056619 | .00978509 |
| 6 | 5s | 28.370927 | .00097748 |
| 7 | 4s | 64.462427 | -.00005308 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130354 | < R2 > | .022849 | < 1/R > | 11.610749 | < 1/R**2 > | 272.302514 |
Total Energy= -192.36673808 a.u.
Kinetic Energy= 192.36889249 a.u.
Potential Energy= -384.73563058 a.u.
Virial Ratio = -1.99998880