(1s 2 2s 2 2p 2 4p 1 ) 4 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 5.504267 | .21557519 |
| 2 | 3p | 1.252127 | -.40582915 |
| 3 | 5p | 1.780786 | 1.38157119 |
| 4 | 4p | 2.772091 | -.70077421 |
| 5 | 5p | 7.164509 | .02447950 |
| 6 | 4p | 17.363750 | -.00234773 |
| 7 | 5p | 1.461498 | .19398851 |
| 8 | 5p | 40.735852 | -.00018686 |
| 9 | 4p | 63.308331 | -.00003584 |
| ORB.ENERGY,a.u. | -1.307500 | ||
| NORM | 1.000000 | < R > | 3.301706 | < R2 > | 12.322556 | < 1/R > | .426054 | < 1/R**2 > | .519759 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.349426 | 1.20593952 |
| 2 | 3p | 5.257085 | -.22918951 |
| 3 | 2p | 11.607959 | .02061999 |
| 4 | 4p | 12.573776 | .00483238 |
| 5 | 5p | 2.000863 | -.00523005 |
| 6 | 5p | 25.622200 | -.00033936 |
| 7 | 4p | 1.809346 | .00548776 |
| ORB.ENERGY,a.u. | -7.857700 | ||
| NORM | 1.000000 | < R > | .545039 | < R2 > | .362450 | < 1/R > | 2.341544 | < 1/R**2 > | 7.506943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.753329 | .37667225 |
| 2 | 2s | 4.926016 | -.82950012 |
| 3 | 3s | 5.100800 | -.27026315 |
| 4 | 4s | 19.796086 | .00258129 |
| 5 | 3s | 11.498632 | .01830733 |
| 6 | 5s | 5.076631 | -.04443123 |
| 7 | 4s | 1.284393 | .00016781 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610798 | < R2 > | .438558 | < 1/R > | 2.382500 | < 1/R**2 > | 23.093742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.155675 | .91176130 |
| 2 | 1s | 17.177812 | .08816113 |
| 3 | 2s | 10.270032 | .01906993 |
| 4 | 3s | 13.086963 | -.01555786 |
| 5 | 5s | 28.466384 | .00121181 |
| 6 | 4s | 69.248822 | -.00003884 |
| 7 | 5s | 9.066691 | .00061833 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129934 | < R2 > | .022666 | < 1/R > | 11.633950 | < 1/R**2 > | 273.136612 |
Total Energy= -181.29103608 a.u.
Kinetic Energy= 181.30677564 a.u.
Potential Energy= -362.59781172 a.u.
Virial Ratio = -1.99991319