(1s 1 4d 1 ) 3 D Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | .623027 | 1.14974490 |
| 2 | 4d | .492471 | -1.84033031 |
| 3 | 5d | .693039 | .27340270 |
| 4 | 4d | 1.368222 | -.02317066 |
| 5 | 5d | 9.184003 | .00001835 |
| 6 | 4d | 2.488364 | -.00237211 |
| ORB.ENERGY,a.u. | -.125610 | ||
| NORM | 1.000002 | < R > | 10.491301 | < R2 > | 125.810521 | < 1/R > | .125193 | < 1/R**2 > | .025127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930246 | .75883112 |
| 2 | 1s | 3.102195 | .25434477 |
| 3 | 2s | 2.929969 | -.01452375 |
| 4 | 3s | 3.353476 | -.00078342 |
| 5 | 4s | 6.153874 | .00007644 |
| ORB.ENERGY,a.u. | -4.344400 |
| NORM | 1.000000 | < R > | .500033 | < R2 > | .333393 | < 1/R > | 2.999895 | < 1/R**2 > | 17.999079 |
Total Energy= -4.62614089 a.u.
Kinetic Energy= 4.62507236 a.u.
Potential Energy= -9.25121326 a.u.
Virial Ratio = -2.00023103