(1s 1 3d 1 ) 1 D Li +
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 | .678921 | .93549286 |
| 2 | 4d | .675945 | .06885554 |
| 3 | 5d | 4.119972 | -.00036115 |
| ORB.ENERGY,a.u. | -.222700 | ||
| NORM | 1.000000 | < R > | 5.252890 | < R2 > | 31.530104 | < 1/R > | .222049 | < 1/R**2 > | .059142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930209 | .75887615 |
| 2 | 1s | 3.102233 | .25436608 |
| 3 | 2s | 2.935315 | -.01453175 |
| 4 | 3s | 2.898037 | -.00087141 |
| ORB.ENERGY,a.u. | -4.222700 |
| NORM | 1.000000 | < R > | .499970 | < R2 > | .333280 | < 1/R > | 3.000093 | < 1/R**2 > | 18.000818 |
Total Energy= -4.72440949 a.u.
Kinetic Energy= 4.72215438 a.u.
Potential Energy= -9.44656388 a.u.
Virial Ratio = -2.00047756