(1s 2 2s 2 2p 2 5p 1 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 3.040192 | .26246060 |
| 2 | 3p | 1.533660 | -2.66745699 |
| 3 | 4p | 1.339658 | 6.54712821 |
| 4 | 5p | 1.281948 | -4.56941494 |
| 5 | 2p | 7.131204 | .03675769 |
| 6 | 5p | 22.247991 | -.00051820 |
| 7 | 4p | 1.019175 | -.19649235 |
| 8 | 4p | 32.523219 | -.00013351 |
| ORB.ENERGY,a.u. | -.795540 | ||
| NORM | .999999 | < R > | 5.507833 | < R2 > | 34.095458 | < 1/R > | .254343 | < 1/R**2 > | .208689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.513221 | 1.32105105 |
| 2 | 3p | 5.954201 | -.40192883 |
| 3 | 4p | 7.551263 | .07959902 |
| 4 | 5p | 1.599360 | .07013797 |
| 5 | 4p | 1.168307 | -.07100109 |
| 6 | 5p | 23.187165 | -.00174676 |
| 7 | 5p | 40.110361 | -.00016091 |
| 8 | 3p | 22.517241 | -.00063344 |
| ORB.ENERGY,a.u. | -7.993000 | ||
| NORM | 1.000000 | < R > | .544215 | < R2 > | .366001 | < 1/R > | 2.346413 | < 1/R**2 > | 7.532719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.777378 | .37563386 |
| 2 | 2s | 4.907391 | -.82971687 |
| 3 | 3s | 5.089820 | -.27023145 |
| 4 | 4s | 19.286701 | .00266008 |
| 5 | 3s | 11.895838 | .01605873 |
| 6 | 5s | 5.046158 | -.03963387 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610228 | < R2 > | .437670 | < 1/R > | 2.384711 | < 1/R**2 > | 23.133307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156220 | .91174526 |
| 2 | 1s | 17.176269 | .08816965 |
| 3 | 2s | 10.283184 | .01906018 |
| 4 | 3s | 13.083829 | -.01555884 |
| 5 | 5s | 28.466371 | .00121224 |
| 6 | 4s | 69.256574 | -.00003986 |
| 7 | 5s | 8.998659 | .00062607 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129925 | < R2 > | .022662 | < 1/R > | 11.634486 | < 1/R**2 > | 273.156434 |
Total Energy= -180.80143310 a.u.
Kinetic Energy= 180.79507310 a.u.
Potential Energy= -361.59650621 a.u.
Virial Ratio = -2.00003518