(1s 2 4d 1 ) 2 D Li 0
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 | 1.931033 | .00019997 |
| 2 | 3d | .259155 | 1.87241346 |
| 3 | 4d | .249576 | -2.37967072 |
| 4 | 5d | 7.603772 | .00003298 |
| ORB.ENERGY,a.u. | -.031254 | ||
| NORM | .999992 | < R > | 20.995696 | < R2 > | 503.821269 | < 1/R > | .062523 | < 1/R**2 > | .006258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392832 | .83092009 |
| 2 | 1s | 4.998368 | .13948552 |
| 3 | 2s | 4.599716 | .04733751 |
| 4 | 3s | 2.459015 | -.00364737 |
| 5 | 4s | 5.210843 | .00895059 |
| 6 | 5s | 20.604157 | -.00006038 |
| ORB.ENERGY,a.u. | -2.642600 |
| NORM | 1.000000 | < R > | .572368 | < R2 > | .445322 | < 1/R > | 2.687415 | < 1/R**2 > | 14.909993 |
Total Energy= -7.26809101 a.u.
Kinetic Energy= 7.26766685 a.u.
Potential Energy= -14.53575785 a.u.
Virial Ratio = -2.00005836