(1s 1 3d 1 ) 1 D B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 1.357439 | .93672130 |
| 2 | 4d | 1.350464 | .06759264 |
| 3 | 5d | 7.134714 | -.00032920 |
| 4 | 4d | 23.582640 | .00000768 |
| ORB.ENERGY,a.u. | -.892810 | ||
| NORM | 1.000000 | < R > | 2.626485 | < R2 > | 7.882881 | < 1/R > | .444104 | < 1/R**2 > | .236594 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.905618 | .75820214 |
| 2 | 1s | 5.102370 | .25532158 |
| 3 | 2s | 4.944505 | -.01520551 |
| 4 | 3s | 4.530070 | -.00050372 |
| ORB.ENERGY,a.u. | -12.004000 |
| NORM | 1.000000 | < R > | .299976 | < R2 > | .119974 | < 1/R > | 5.000216 | < 1/R**2 > | 50.003203 |
Total Energy= -13.39443691 a.u.
Kinetic Energy= 13.38860754 a.u.
Potential Energy= -26.78304444 a.u.
Virial Ratio = -2.00043540