(1s 2 2s 2 2p 3 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 2p- electron | |
| 1 | 2p | 4.063613 | 1.26116678 |
| 2 | 3p | 4.959458 | -.29604269 |
| 3 | 2p | 10.954010 | .02985540 |
| 4 | 4p | 13.159122 | .01159484 |
| 5 | 5p | 18.782402 | -.00223041 |
| 6 | 5p | 3.437807 | .00204684 |
| 7 | 4p | 51.598930 | .00004391 |
| ORB.ENERGY,a.u. | -6.591700 | ||
| NORM | 1.000000 | < R > | .573728 | < R2 > | .404558 | < 1/R > | 2.243736 | < 1/R**2 > | 6.960146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.789305 | .36346722 |
| 2 | 2s | 4.834362 | -.83068077 |
| 3 | 3s | 4.626637 | -.27652279 |
| 4 | 4s | 19.117496 | .00257208 |
| 5 | 3s | 12.022947 | .01476443 |
| 6 | 5s | 4.743112 | -.02923859 |
| 7 | 4s | 2.307147 | -.00015895 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .628525 | < R2 > | .465933 | < 1/R > | 2.312504 | < 1/R**2 > | 21.842769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156304 | .91253318 |
| 2 | 1s | 17.520899 | .08464498 |
| 3 | 2s | 11.979973 | .01958305 |
| 4 | 3s | 14.359204 | -.01337657 |
| 5 | 5s | 28.354362 | .00117570 |
| 6 | 4s | 6.484255 | .00047674 |
| 7 | 5s | 11.186996 | .00196686 |
| 8 | 3s | 47.130857 | -.00009316 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .130155 | < R2 > | .022762 | < 1/R > | 11.621664 | < 1/R**2 > | 272.694137 |
Total Energy= -186.85917444 a.u.
Kinetic Energy= 186.59022514 a.u.
Potential Energy= -373.44939958 a.u.
Virial Ratio = -2.00144139