(1s 2 2s 2 2p 2 5s 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 9.646414 | .06811170 |
| 2 | 2s | 3.385221 | -.39393337 |
| 3 | 3s | 1.776748 | 2.18168178 |
| 4 | 4s | 1.487540 | -4.56076739 |
| 5 | 5s | 1.316354 | 3.29178599 |
| 6 | 5s | 11.614791 | -.00655454 |
| 7 | 4s | 24.978454 | .00023727 |
| ORB.ENERGY,a.u. | -.862090 | ||
| NORM | .999998 | < R > | 5.238696 | < R2 > | 30.707510 | < 1/R > | .274540 | < 1/R**2 > | .756068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 12.201608 | .01764499 |
| 2 | 4p | 14.235253 | .00666846 |
| 3 | 5p | 20.394837 | -.00152446 |
| 4 | 5p | 3.604028 | .00053941 |
| 5 | 4p | 53.509302 | .00003478 |
| 6 | 2p | 4.355649 | 1.20918941 |
| 7 | 3p | 5.270489 | -.23018002 |
| ORB.ENERGY,a.u. | -8.009800 | ||
| NORM | 1.000000 | < R > | .544848 | < R2 > | .362105 | < 1/R > | 2.341865 | < 1/R**2 > | 7.507800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.517748 | .39115530 |
| 2 | 2s | 5.042663 | -.86525068 |
| 3 | 3s | 4.593143 | -.28837581 |
| 4 | 4s | 19.933377 | .00249546 |
| 5 | 3s | 11.059520 | .02609462 |
| 6 | 5s | 7.265250 | -.00722229 |
| 7 | 4s | 1.512915 | .02668541 |
| 8 | 3s | 1.139767 | -.02720061 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610213 | < R2 > | .437781 | < 1/R > | 2.384954 | < 1/R**2 > | 23.138498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.153133 | .91148909 |
| 2 | 1s | 17.054175 | .08947409 |
| 3 | 2s | 9.381050 | .01919498 |
| 4 | 3s | 12.395959 | -.01644511 |
| 5 | 5s | 28.139244 | .00104489 |
| 6 | 4s | 63.653171 | -.00005563 |
| 7 | 5s | 5.140433 | .00022970 |
| 8 | 3s | .623014 | -.00167342 |
| 9 | 4s | .777171 | .00179983 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129917 | < R2 > | .022660 | < 1/R > | 11.634959 | < 1/R**2 > | 273.173151 |
Total Energy= -180.85793396 a.u.
Kinetic Energy= 180.86109624 a.u.
Potential Energy= -361.71903020 a.u.
Virial Ratio = -1.99998252