(1s 2 5d 1 ) 2 D C 3+
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 | .801710 | 3.52430855 |
| 2 | 4d | .801206 | -8.78309546 |
| 3 | 5d | .800365 | 5.95279034 |
| 4 | 3d | 6.198691 | .00043379 |
| 5 | 5d | 4.150792 | .00057055 |
| ORB.ENERGY,a.u. | -.320150 | ||
| NORM | .999998 | < R > | 8.619820 | < R2 > | 84.279543 | < 1/R > | .160189 | < 1/R**2 > | .051432 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.226491 | .71486987 |
| 2 | 1s | 8.150560 | .22987135 |
| 3 | 2s | 6.425603 | .08064981 |
| 4 | 3s | 6.547227 | -.01357222 |
| 5 | 4s | 10.629311 | .00545472 |
| 6 | 5s | 41.267170 | -.00003679 |
| 7 | 5s | 6.082085 | -.00136303 |
| ORB.ENERGY,a.u. | -14.185000 |
| NORM | 1.000000 | < R > | .266763 | < R2 > | .095707 | < 1/R > | 5.687428 | < 1/R**2 > | 65.653111 |
Total Energy= -32.68238312 a.u.
Kinetic Energy= 32.68134464 a.u.
Potential Energy= -65.36372776 a.u.
Virial Ratio = -2.00003178