(1s 1 3d 1 ) 3 D Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 3.669126 | 1.00248532 |
| 2 | 3d | 13.736946 | .00041532 |
| 3 | 4d | 4.824093 | -.00259722 |
| ORB.ENERGY,a.u. | -6.865000 | ||
| NORM | 1.000000 | < R > | .953857 | < R2 > | 1.039972 | < 1/R > | 1.223428 | < 1/R**2 > | 1.797062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.744377 | .88930445 |
| 2 | 1s | 14.405099 | .10560741 |
| 3 | 2s | 14.275078 | .01066692 |
| 4 | 3s | 12.321835 | -.00524688 |
| 5 | 4s | 26.969538 | .00002328 |
| 6 | 5s | 9.541608 | .00009050 |
| ORB.ENERGY,a.u. | -70.865000 |
| NORM | 1.000000 | < R > | .125017 | < R2 > | .020841 | < 1/R > | 11.999112 | < 1/R**2 > | 287.968567 |
Total Energy= -78.74207179 a.u.
Kinetic Energy= 78.72485678 a.u.
Potential Energy= -157.46692857 a.u.
Virial Ratio = -2.00021867