(1s 2 3d 1 ) 2 D P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 4.334963 | .99962379 |
| 2 | 3d | 11.632104 | .00192183 |
| 3 | 4d | 14.831271 | -.00113201 |
| ORB.ENERGY,a.u. | -9.396600 | ||
| NORM | 1.000000 | < R > | .807131 | < R2 > | .744629 | < 1/R > | 1.445831 | < 1/R**2 > | 2.509871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.430764 | .93850538 |
| 2 | 1s | 22.828308 | .04913428 |
| 3 | 2s | 17.515988 | .01708201 |
| 4 | 3s | 12.912587 | .00075492 |
| 5 | 4s | 51.322218 | -.00067864 |
| 6 | 5s | 63.680890 | .00022347 |
| 7 | 3s | 89.431097 | -.00002659 |
| ORB.ENERGY,a.u. | -101.990000 |
| NORM | 1.000000 | < R > | .102576 | < R2 > | .014075 | < 1/R > | 14.686998 | < 1/R**2 > | 433.864869 |
Total Energy= -225.13946570 a.u.
Kinetic Energy= 225.12846833 a.u.
Potential Energy= -450.26793403 a.u.
Virial Ratio = -2.00004885