(1s 1 4d 1 ) 1 D Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .581780 | 1.21937867 |
| 2 | 4d | .491299 | -1.84164435 |
| 3 | 4d | 1.014596 | .03078051 |
| 4 | 5d | .749497 | .13595604 |
| 5 | 5d | 15.843486 | .00001164 |
| ORB.ENERGY,a.u. | -.125500 | ||
| NORM | .999996 | < R > | 10.504494 | < R2 > | 126.101352 | < 1/R > | .124905 | < 1/R**2 > | .024942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930174 | .75888384 |
| 2 | 1s | 3.102233 | .25435934 |
| 3 | 2s | 2.935422 | -.01452977 |
| 4 | 3s | 2.964300 | -.00085497 |
| ORB.ENERGY,a.u. | -4.344300 |
| NORM | 1.000000 | < R > | .499984 | < R2 > | .333305 | < 1/R > | 3.000050 | < 1/R**2 > | 18.000446 |
Total Energy= -4.62612483 a.u.
Kinetic Energy= 4.62496114 a.u.
Potential Energy= -9.25108598 a.u.
Virial Ratio = -2.00025161