(1s 2 2s 1 5d 1 ) 3 D C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | .743567 | 1.77967654 |
| 2 | 4d | .676435 | -4.23070837 |
| 3 | 5d | .591147 | 3.00292642 |
| 4 | 3d | 2.066120 | .02641294 |
| 5 | 5d | .833408 | .13389251 |
| 6 | 4d | 14.259219 | .00004503 |
| 7 | 4d | .386185 | -.05214111 |
| 8 | 3d | .262588 | .01093865 |
| ORB.ENERGY,a.u. | -.184220 | ||
| NORM | 1.000000 | < R > | 11.205624 | < R2 > | 142.586087 | < 1/R > | .124493 | < 1/R**2 > | .032255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.073302 | .32628227 |
| 2 | 2s | 2.163955 | -.86773303 |
| 3 | 3s | 2.774744 | -.22148426 |
| 4 | 4s | 6.347073 | .04134183 |
| 5 | 3s | 8.771583 | .00845288 |
| 6 | 5s | 2.722023 | -.02466702 |
| 7 | 4s | 9.792105 | .00883491 |
| 8 | 5s | 14.230057 | -.00078892 |
| ORB.ENERGY,a.u. | -2.229900 | ||
| NORM | 1.000000 | < R > | 1.282345 | < R2 > | 1.919601 | < 1/R > | 1.114761 | < 1/R**2 > | 5.002584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.280809 | .88492065 |
| 2 | 1s | 8.631187 | .12353110 |
| 3 | 2s | 4.515171 | .02018576 |
| 4 | 3s | 6.685930 | -.02291082 |
| 5 | 4s | 11.082564 | .00567752 |
| 6 | 5s | 6.437584 | -.00641798 |
| 7 | 5s | 44.464530 | -.00001815 |
| 8 | 4s | 2.706234 | .00055033 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267336 | < R2 > | .096221 | < 1/R > | 5.679315 | < 1/R**2 > | 65.500309 |
Total Energy= -34.92083256 a.u.
Kinetic Energy= 34.91027912 a.u.
Potential Energy= -69.83111168 a.u.
Virial Ratio = -2.00030230