(1s 2 3d 1 ) 2 D Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | .335269 | .91722334 |
| 2 | 4d | 6.390443 | .00005544 |
| 3 | 5d | 3.795963 | .00015916 |
| 4 | 3d | .316507 | .08506018 |
| 5 | 4d | .587291 | -.00228101 |
| ORB.ENERGY,a.u. | -.055562 | ||
| NORM | 1.000000 | < R > | 10.497745 | < R2 > | 125.953284 | < 1/R > | .111148 | < 1/R**2 > | .014830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392832 | .83091979 |
| 2 | 1s | 4.998368 | .13948546 |
| 3 | 2s | 4.599660 | .04733691 |
| 4 | 3s | 2.460127 | -.00364413 |
| 5 | 4s | 5.211352 | .00894994 |
| 6 | 5s | 20.580081 | -.00006007 |
| ORB.ENERGY,a.u. | -2.569600 |
| NORM | 1.000000 | < R > | .572370 | < R2 > | .445325 | < 1/R > | 2.687413 | < 1/R**2 > | 14.909974 |
Total Energy= -7.29282338 a.u.
Kinetic Energy= 7.29197305 a.u.
Potential Energy= -14.58479643 a.u.
Virial Ratio = -2.00011661