(1s 1 4d 1 ) 3 D B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 1.198183 | 1.25597396 |
| 2 | 4d | .986932 | -1.88688002 |
| 3 | 5d | 1.365397 | .19453455 |
| 4 | 4d | 2.685579 | -.01639581 |
| 5 | 5d | 10.155586 | .00004634 |
| 6 | 4d | 4.947993 | -.00147541 |
| ORB.ENERGY,a.u. | -.504490 | ||
| NORM | 1.000000 | < R > | 5.245416 | < R2 > | 31.450149 | < 1/R > | .250394 | < 1/R**2 > | .100500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.905496 | .75815446 |
| 2 | 1s | 5.102245 | .25532431 |
| 3 | 2s | 4.945019 | -.01520650 |
| 4 | 3s | 4.893496 | -.00046987 |
| 5 | 4s | 4.220921 | .00015753 |
| ORB.ENERGY,a.u. | -12.223000 |
| NORM | 1.000000 | < R > | .300028 | < R2 > | .120030 | < 1/R > | 4.999746 | < 1/R**2 > | 49.996244 |
Total Energy= -13.00293605 a.u.
Kinetic Energy= 13.00030938 a.u.
Potential Energy= -26.00324543 a.u.
Virial Ratio = -2.00020205