(1s 2 2s 2 2p 5 4p 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4.904647 | .14082073 |
| 2 | 3p | .523686 | 2.79453607 |
| 3 | 4p | 1.542786 | -.90450647 |
| 4 | 5p | 2.987889 | -.12655415 |
| 5 | 3p | 7.131582 | -.01885541 |
| 6 | 5p | .667065 | -1.48381955 |
| 7 | 4p | 20.932928 | -.00034451 |
| 8 | 3p | .244468 | -.20456544 |
| 9 | 5p | 64.151229 | -.00000975 |
| 10 | 5p | .304150 | .11901329 |
| ORB.ENERGY,a.u. | -.377040 | ||
| NORM | .999999 | < R > | 5.686740 | < R2 > | 36.596196 | < 1/R > | .241353 | < 1/R**2 > | .174282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.354357 | 1.31499427 |
| 2 | 3p | 4.013624 | -.41720045 |
| 3 | 2p | 8.665611 | .09412240 |
| 4 | 4p | 9.930290 | .02477000 |
| 5 | 5p | 20.417075 | .00052495 |
| 6 | 5p | 2.681442 | .00178797 |
| 7 | 4p | 39.166149 | .00005892 |
| 8 | 4p | .640558 | .00026241 |
| ORB.ENERGY,a.u. | -3.689600 | ||
| NORM | 1.000000 | < R > | .640299 | < R2 > | .513559 | < 1/R > | 2.053594 | < 1/R**2 > | 5.962539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.892737 | .33559684 |
| 2 | 2s | 4.635038 | -.82479572 |
| 3 | 3s | 3.826465 | -.30236336 |
| 4 | 4s | 15.707123 | .00587902 |
| 5 | 3s | 14.432193 | .00645498 |
| 6 | 5s | 32.996603 | .00023053 |
| 7 | 5s | 2.422859 | -.00162756 |
| 8 | 4s | 2.789950 | .00139586 |
| 9 | 3s | 1.263252 | .00066032 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669487 | < R2 > | .533754 | < 1/R > | 2.170320 | < 1/R**2 > | 19.403565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193159 | .90716412 |
| 2 | 1s | 16.608273 | .09137988 |
| 3 | 2s | 6.092879 | .01903069 |
| 4 | 3s | 7.732606 | -.02090973 |
| 5 | 4s | 9.884532 | .01073533 |
| 6 | 5s | 28.710952 | .00102508 |
| 7 | 4s | 67.624836 | -.00004297 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130498 | < R2 > | .022912 | < 1/R > | 11.603041 | < 1/R**2 > | 272.027931 |
Total Energy= -196.31979296 a.u.
Kinetic Energy= 196.31747815 a.u.
Potential Energy= -392.63727111 a.u.
Virial Ratio = -2.00001179