(1s 2 2s 2 2p 2 4d 1 ) 4 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 1.881198 | 1.05782002 |
| 2 | 4d | 1.496165 | -1.59276085 |
| 3 | 3d | 4.163721 | .08880482 |
| 4 | 4d | 5.038382 | -.02750957 |
| 5 | 5d | 1.182822 | .03677654 |
| 6 | 5d | 15.809387 | -.00049151 |
| 7 | 4d | 24.433860 | -.00005543 |
| 8 | 4d | .976206 | -.02097312 |
| ORB.ENERGY,a.u. | -1.174100 | ||
| NORM | 1.000001 | < R > | 3.315284 | < R2 > | 12.626120 | < 1/R > | .405657 | < 1/R**2 > | .279580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.354415 | 1.21137865 |
| 2 | 3p | 5.304568 | -.23302017 |
| 3 | 2p | 11.759723 | .01903667 |
| 4 | 4p | 12.612470 | .00446918 |
| 5 | 5p | 2.373316 | -.00237637 |
| 6 | 5p | 25.823093 | -.00032766 |
| 7 | 4p | 2.461362 | .00287796 |
| ORB.ENERGY,a.u. | -7.844900 | ||
| NORM | 1.000000 | < R > | .545850 | < R2 > | .363587 | < 1/R > | 2.338708 | < 1/R**2 > | 7.491244 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.770260 | .37580896 |
| 2 | 2s | 4.913932 | -.82930685 |
| 3 | 3s | 5.079260 | -.27027894 |
| 4 | 4s | 19.186826 | .00263419 |
| 5 | 3s | 11.943965 | .01613359 |
| 6 | 5s | 5.045743 | -.04101984 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610663 | < R2 > | .438389 | < 1/R > | 2.383181 | < 1/R**2 > | 23.105895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156765 | .91173627 |
| 2 | 1s | 17.176052 | .08816988 |
| 3 | 2s | 10.304269 | .01904444 |
| 4 | 3s | 13.082813 | -.01555871 |
| 5 | 5s | 28.484802 | .00121205 |
| 6 | 4s | 69.210345 | -.00004015 |
| 7 | 5s | 8.918462 | .00064044 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129914 | < R2 > | .022658 | < 1/R > | 11.635137 | < 1/R**2 > | 273.180645 |
Total Energy= -181.16828189 a.u.
Kinetic Energy= 181.17390098 a.u.
Potential Energy= -362.34218287 a.u.
Virial Ratio = -1.99996899