(1s 2 2s 2 2p 4 4d 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | .264216 | 1.75369903 |
| 2 | 4d | .248193 | -2.24431509 |
| 3 | 3d | 1.948323 | .00387579 |
| 4 | 5d | .710873 | -.00647993 |
| 5 | 4d | 5.064212 | .00046227 |
| 6 | 5d | 17.517138 | .00002397 |
| ORB.ENERGY,a.u. | -.031138 | ||
| NORM | 1.000006 | < R > | 21.057700 | < R2 > | 507.137951 | < 1/R > | .062535 | < 1/R**2 > | .006330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212469 | .67439229 |
| 2 | 2p | 3.945897 | .31710506 |
| 3 | 2p | 9.766433 | .01609766 |
| 4 | 3p | 1.536806 | .05837161 |
| 5 | 4p | 9.452317 | .01376199 |
| 6 | 4p | .938981 | -.04537430 |
| 7 | 3p | 12.437981 | .00324537 |
| 8 | 5p | 1.046234 | .03661353 |
| ORB.ENERGY,a.u. | -1.124700 | ||
| NORM | 1.000000 | < R > | .969879 | < R2 > | 1.195327 | < 1/R > | 1.377834 | < 1/R**2 > | 2.732185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492854 | .30237016 |
| 2 | 2s | 3.280608 | -.83648340 |
| 3 | 3s | 2.608695 | -.31939055 |
| 4 | 4s | 4.797682 | .03038341 |
| 5 | 3s | 8.733993 | .02659745 |
| 6 | 5s | 19.312642 | .00072237 |
| 7 | 5s | 2.270413 | -.00525904 |
| 8 | 2s | 50.349675 | .00000745 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960932 | < R2 > | 1.108643 | < 1/R > | 1.503333 | < 1/R**2 > | 9.296099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230971 | .87180078 |
| 2 | 1s | 12.228855 | .12117097 |
| 3 | 1s | 9.996728 | .00285415 |
| 4 | 2s | 6.005654 | .01818509 |
| 5 | 3s | 8.203536 | -.00760311 |
| 6 | 4s | 17.136956 | .00293972 |
| 7 | 5s | 51.507998 | -.00004145 |
| 8 | 5s | 4.192391 | .00044877 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632444 | < 1/R**2 > | 150.887119 |
Total Energy= -98.86349804 a.u.
Kinetic Energy= 98.86285350 a.u.
Potential Energy= -197.72635155 a.u.
Virial Ratio = -2.00000652