(1s 2 4d 1 ) 2 D C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.029015 | 1.92294573 |
| 2 | 4d | 1.000164 | -2.42761431 |
| 3 | 3d | 3.665976 | .00068339 |
| 4 | 5d | 11.890391 | .00020846 |
| 5 | 4d | 19.789797 | .00004334 |
| 6 | 5d | .962018 | -.00688727 |
| ORB.ENERGY,a.u. | -.500270 | ||
| NORM | 1.000000 | < R > | 5.246311 | < R2 > | 31.460216 | < 1/R > | .250327 | < 1/R**2 > | .100429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.226445 | .71487662 |
| 2 | 1s | 8.149344 | .22992078 |
| 3 | 2s | 6.424780 | .08056016 |
| 4 | 3s | 6.537904 | -.01357436 |
| 5 | 4s | 10.622434 | .00545818 |
| 6 | 5s | 41.309161 | -.00003694 |
| 7 | 5s | 6.089646 | -.00132008 |
| ORB.ENERGY,a.u. | -14.083000 |
| NORM | 1.000000 | < R > | .266767 | < R2 > | .095711 | < 1/R > | 5.687387 | < 1/R**2 > | 65.652428 |
Total Energy= -32.86312779 a.u.
Kinetic Energy= 32.86143891 a.u.
Potential Energy= -65.72456671 a.u.
Virial Ratio = -2.00005139