(1s 2 5d 1 ) 2 D B 2+
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 | .601200 | 3.52642525 |
| 2 | 4d | .600846 | -8.78859157 |
| 3 | 5d | .600258 | 5.95629728 |
| 4 | 3d | 5.043744 | .00039539 |
| 5 | 5d | 3.292850 | .00050866 |
| ORB.ENERGY,a.u. | -.180080 | ||
| NORM | 1.000003 | < R > | 11.493661 | < R2 > | 149.843411 | < 1/R > | .120132 | < 1/R**2 > | .028924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.222910 | .73093790 |
| 2 | 1s | 7.064430 | .21853979 |
| 3 | 2s | 5.742760 | .07702129 |
| 4 | 3s | 5.504622 | -.01327728 |
| 5 | 4s | 8.501692 | .00595430 |
| 6 | 5s | 30.957347 | -.00008008 |
| 7 | 5s | 4.955167 | -.00227958 |
| ORB.ENERGY,a.u. | -9.347500 |
| NORM | 1.000000 | < R > | .324494 | < R2 > | .141890 | < 1/R > | 4.687440 | < 1/R**2 > | 44.738864 |
Total Energy= -22.16709465 a.u.
Kinetic Energy= 22.16631318 a.u.
Potential Energy= -44.33340782 a.u.
Virial Ratio = -2.00003526