(1s 2 2s 2 4d 1 ) 2 D C +
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 | .584843 | 1.29506272 |
| 2 | 4d | .501226 | -1.79969066 |
| 3 | 3d | 1.503436 | .05634441 |
| 4 | 5d | 2.286678 | -.01621058 |
| 5 | 4d | 6.774080 | .00023702 |
| 6 | 5d | 22.279253 | .00001996 |
| ORB.ENERGY,a.u. | -.128190 | ||
| NORM | 1.000002 | < R > | 10.148891 | < R2 > | 118.305845 | < 1/R > | .132103 | < 1/R**2 > | .029359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.414356 | .27124239 |
| 2 | 2s | 1.867164 | -.73319494 |
| 3 | 3s | 2.964173 | -.27947005 |
| 4 | 4s | 7.871053 | .01317303 |
| 5 | 5s | 2.655462 | -.04888277 |
| 6 | 3s | 8.305677 | .00715039 |
| 7 | 4s | 1.609027 | -.00258692 |
| 8 | 5s | 34.679647 | -.00003782 |
| ORB.ENERGY,a.u. | -1.521900 | ||
| NORM | 1.000000 | < R > | 1.374170 | < R2 > | 2.222925 | < 1/R > | 1.032689 | < 1/R**2 > | 4.271096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203019 | .71565007 |
| 2 | 1s | 8.161410 | .23036700 |
| 3 | 2s | 6.403914 | .08088882 |
| 4 | 3s | 6.892502 | -.01385648 |
| 5 | 4s | 11.048339 | .00536943 |
| 6 | 5s | 7.320644 | -.00214888 |
| 7 | 3s | 22.902816 | -.00008169 |
| ORB.ENERGY,a.u. | -12.308000 |
| NORM | 1.000000 | < R > | .267409 | < R2 > | .096248 | < 1/R > | 5.677238 | < 1/R**2 > | 65.453543 |
Total Energy= -36.53755378 a.u.
Kinetic Energy= 36.53669227 a.u.
Potential Energy= -73.07424605 a.u.
Virial Ratio = -2.00002358