(1s 2 5d 1 ) 2 D S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 2.802976 | 3.53655093 |
| 2 | 4d | 2.802134 | -8.82029262 |
| 3 | 5d | 2.800868 | 5.97831424 |
| 4 | 3d | 11.018817 | .00105646 |
| 5 | 5d | 17.876322 | -.00044575 |
| 6 | 4d | 51.543983 | .00001266 |
| ORB.ENERGY,a.u. | -3.923300 | ||
| NORM | 1.000002 | < R > | 2.463274 | < R2 > | 6.882388 | < 1/R > | .560440 | < 1/R**2 > | .629001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.412954 | .93825807 |
| 2 | 1s | 24.305781 | .04921047 |
| 3 | 2s | 18.981360 | .01725646 |
| 4 | 3s | 14.300899 | .00051357 |
| 5 | 4s | 54.064770 | -.00064866 |
| 6 | 5s | 66.813461 | .00021326 |
| 7 | 3s | 92.262653 | -.00002760 |
| ORB.ENERGY,a.u. | -117.870000 |
| NORM | 1.000000 | < R > | .096006 | < R2 > | .012327 | < 1/R > | 15.687343 | < 1/R**2 > | 494.793907 |
Total Energy= -250.03597988 a.u.
Kinetic Energy= 250.03240012 a.u.
Potential Energy= -500.06838000 a.u.
Virial Ratio = -2.00001432