(1s 2 3d 1 ) 2 D C 3+
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 | 1.335135 | 1.00515602 |
| 2 | 4d | 1.876122 | -.00529213 |
| 3 | 3d | 6.597865 | .00055789 |
| ORB.ENERGY,a.u. | -.889360 | ||
| NORM | 1.000000 | < R > | 2.622565 | < R2 > | 7.861861 | < 1/R > | .445031 | < 1/R**2 > | .237871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.226287 | .71489503 |
| 2 | 1s | 8.148363 | .22996314 |
| 3 | 2s | 6.421152 | .08057261 |
| 4 | 3s | 6.525243 | -.01372936 |
| 5 | 4s | 10.604912 | .00548337 |
| 6 | 5s | 41.568062 | -.00003692 |
| 7 | 5s | 6.121064 | -.00124606 |
| ORB.ENERGY,a.u. | -13.864000 |
| NORM | 1.000000 | < R > | .266774 | < R2 > | .095718 | < 1/R > | 5.687310 | < 1/R**2 > | 65.651175 |
Total Energy= -33.25389973 a.u.
Kinetic Energy= 33.25051553 a.u.
Potential Energy= -66.50441526 a.u.
Virial Ratio = -2.00010178