(1s 2 2s 2 2p 4 5p 1 ) 2 D Mg 3+
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 | 2.794086 | .17006837 |
| 2 | 3p | 1.196472 | -1.51107468 |
| 3 | 4p | 1.043811 | 3.36234505 |
| 4 | 5p | .868224 | -2.50278798 |
| 5 | 2p | 6.320575 | .04844047 |
| 6 | 5p | 15.608602 | -.00136815 |
| 7 | 4p | 23.265009 | -.00052425 |
| 8 | 2p | 1.489176 | -.11414061 |
| 9 | 4p | .531396 | .00756594 |
| 10 | 5p | 77.158072 | -.00000857 |
| ORB.ENERGY,a.u. | -.382780 | ||
| NORM | 1.000004 | < R > | 7.620944 | < R2 > | 65.289981 | < 1/R > | .185601 | < 1/R**2 > | .126657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.683359 | 1.27205976 |
| 2 | 3p | 4.385475 | -.34622244 |
| 3 | 2p | 9.244797 | .06819773 |
| 4 | 4p | 10.636599 | .01739631 |
| 5 | 5p | 1.350447 | .00188974 |
| 6 | 5p | 61.354846 | .00001697 |
| 7 | 4p | .683475 | -.00193439 |
| ORB.ENERGY,a.u. | -4.924200 | ||
| NORM | 1.000000 | < R > | .603487 | < R2 > | .451217 | < 1/R > | 2.152153 | < 1/R**2 > | 6.465585 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.830819 | .34954522 |
| 2 | 2s | 4.733136 | -.83194668 |
| 3 | 3s | 4.120572 | -.29368925 |
| 4 | 4s | 14.891158 | .00955810 |
| 5 | 3s | 16.134897 | .00513688 |
| 6 | 5s | 29.925675 | .00041918 |
| 7 | 5s | 4.095324 | -.00410907 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648804 | < R2 > | .498682 | < 1/R > | 2.238870 | < 1/R**2 > | 20.561393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247932 | .91829714 |
| 2 | 1s | 16.928864 | .07951084 |
| 3 | 2s | 6.353258 | .01949775 |
| 4 | 3s | 7.901154 | -.02015483 |
| 5 | 4s | 10.054523 | .00978924 |
| 6 | 5s | 28.394008 | .00097557 |
| 7 | 4s | 64.305848 | -.00005317 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130354 | < R2 > | .022849 | < 1/R > | 11.610749 | < 1/R**2 > | 272.302521 |
Total Energy= -192.36680204 a.u.
Kinetic Energy= 192.36568095 a.u.
Potential Energy= -384.73248299 a.u.
Virial Ratio = -2.00000583