(1s 2 2s 2 2p 4 4p 1 ) 2 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 5.238842 | .15604282 |
| 2 | 3p | .884553 | 1.90900776 |
| 3 | 4p | 1.822600 | -1.24163879 |
| 4 | 5p | 3.409418 | -.15874699 |
| 5 | 3p | 12.108302 | -.00385035 |
| 6 | 5p | .854017 | -.28966078 |
| 7 | 4p | .516929 | .13661809 |
| 8 | 4p | 9.251031 | -.00921336 |
| 9 | 3p | .250515 | -.16591204 |
| 10 | 5p | .319398 | .10611200 |
| ORB.ENERGY,a.u. | -.629550 | ||
| NORM | 1.000000 | < R > | 4.559209 | < R2 > | 23.489801 | < 1/R > | .302062 | < 1/R**2 > | .264614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.695461 | 1.24957017 |
| 2 | 3p | 4.409375 | -.32670661 |
| 3 | 2p | 9.161367 | .07087858 |
| 4 | 4p | 10.319132 | .02034433 |
| 5 | 5p | 11.444552 | -.00148962 |
| 6 | 5p | 1.152750 | .00193274 |
| 7 | 4p | 51.496278 | .00002056 |
| 8 | 4p | 2.913723 | .00078293 |
| ORB.ENERGY,a.u. | -4.804000 | ||
| NORM | 1.000000 | < R > | .603597 | < R2 > | .451357 | < 1/R > | 2.151738 | < 1/R**2 > | 6.463180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.828681 | .34947609 |
| 2 | 2s | 4.733660 | -.83221189 |
| 3 | 3s | 4.113011 | -.29408540 |
| 4 | 4s | 14.742070 | .00959188 |
| 5 | 3s | 16.031063 | .00533952 |
| 6 | 5s | 29.414823 | .00046598 |
| 7 | 5s | 4.003220 | -.00398535 |
| 8 | 4s | 1.021187 | .00011967 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649172 | < R2 > | .499319 | < 1/R > | 2.237681 | < 1/R**2 > | 20.541389 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247795 | .91829560 |
| 2 | 1s | 16.928505 | .07951263 |
| 3 | 2s | 6.351757 | .01951724 |
| 4 | 3s | 7.894589 | -.02017283 |
| 5 | 4s | 10.043931 | .00980801 |
| 6 | 5s | 28.302531 | .00096622 |
| 7 | 4s | 64.312660 | -.00005639 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130358 | < R2 > | .022850 | < 1/R > | 11.610523 | < 1/R**2 > | 272.294242 |
Total Energy= -192.61478532 a.u.
Kinetic Energy= 192.61239483 a.u.
Potential Energy= -385.22718015 a.u.
Virial Ratio = -2.00001241