(1s 1 5d 1 ) 3 D Li +
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 | .400065 | 3.54851588 |
| 2 | 4d | .400200 | -8.85098897 |
| 3 | 5d | .400211 | 5.99694026 |
| 4 | 3d | 3.062012 | .00053853 |
| 5 | 5d | 2.023593 | .00068386 |
| ORB.ENERGY,a.u. | -.080581 | ||
| NORM | .999993 | < R > | 17.237894 | < R2 > | 337.056011 | < 1/R > | .080111 | < 1/R**2 > | .012869 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930066 | .75887275 |
| 2 | 1s | 3.102233 | .25437735 |
| 3 | 2s | 2.936675 | -.01452812 |
| 4 | 3s | 3.107950 | -.00082375 |
| ORB.ENERGY,a.u. | -4.400600 |
| NORM | 1.000000 | < R > | .500019 | < R2 > | .333366 | < 1/R > | 2.999940 | < 1/R**2 > | 17.999474 |
Total Energy= -4.58069402 a.u.
Kinetic Energy= 4.58004275 a.u.
Potential Energy= -9.16073677 a.u.
Virial Ratio = -2.00014220