(1s 2 2s 2 4d 1 ) 2 D S 11+
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 | 3.165334 | 1.70063396 |
| 2 | 4d | 3.032624 | -2.25923551 |
| 3 | 3d | 8.010680 | .02651624 |
| 4 | 4d | 5.998887 | .03156763 |
| 5 | 5d | 25.292024 | -.00024251 |
| 6 | 5d | 2.032050 | -.00048563 |
| ORB.ENERGY,a.u. | -4.582700 | ||
| NORM | 1.000000 | < R > | 1.713315 | < R2 > | 3.359025 | < 1/R > | .771080 | < 1/R**2 > | .968000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.419171 | .40238471 |
| 2 | 2s | 6.522763 | -.81281215 |
| 3 | 3s | 8.522207 | -.28765829 |
| 4 | 5s | 15.979959 | -.01535102 |
| 5 | 4s | 32.044940 | .00204368 |
| 6 | 5s | 47.930960 | -.00029373 |
| 7 | 5s | 6.897521 | .00567941 |
| ORB.ENERGY,a.u. | -23.009000 | ||
| NORM | 1.000000 | < R > | .415760 | < R2 > | .201892 | < 1/R > | 3.537551 | < 1/R**2 > | 50.408353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.139374 | .93547463 |
| 2 | 1s | 24.025136 | .06365269 |
| 3 | 2s | 16.512071 | .01964985 |
| 4 | 3s | 18.605636 | -.01665833 |
| 5 | 5s | 37.587864 | .00095690 |
| 6 | 4s | 89.085179 | -.00003791 |
| 7 | 5s | 19.219474 | -.00115665 |
| ORB.ENERGY,a.u. | -111.730000 |
| NORM | 1.000000 | < R > | .096144 | < R2 > | .012368 | < 1/R > | 15.670496 | < 1/R**2 > | 493.890088 |
Total Energy= -300.26506869 a.u.
Kinetic Energy= 300.25989476 a.u.
Potential Energy= -600.52496345 a.u.
Virial Ratio = -2.00001723