(1s 1 4d 1 ) 1 D P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 3.573351 | 1.97473313 |
| 2 | 4d | 3.497502 | -2.48803855 |
| 3 | 3d | 5.650987 | -.00086513 |
| 4 | 4d | 16.677948 | -.00013009 |
| 5 | 5d | 69.447971 | .00000814 |
| ORB.ENERGY,a.u. | -6.464500 | ||
| NORM | 1.000000 | < R > | 1.500307 | < R2 > | 2.572405 | < 1/R > | .874717 | < 1/R**2 > | 1.223887 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.760710 | .88937818 |
| 2 | 1s | 17.407343 | .10545155 |
| 3 | 2s | 16.083355 | .01062988 |
| 4 | 3s | 15.620598 | -.00524924 |
| 5 | 4s | 19.108669 | .00005335 |
| 6 | 5s | 20.191828 | .00009276 |
| ORB.ENERGY,a.u. | -111.930000 |
| NORM | 1.000000 | < R > | .099998 | < R2 > | .013333 | < 1/R > | 15.000203 | < 1/R**2 > | 450.009186 |
Total Energy= -118.63859649 a.u.
Kinetic Energy= 118.62408223 a.u.
Potential Energy= -237.26267872 a.u.
Virial Ratio = -2.00012236