(1s 1 5d 1 ) 1 D Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | .400342 | 3.52756691 |
| 2 | 4d | .400200 | -8.81092264 |
| 3 | 5d | .399906 | 5.97043539 |
| 4 | 3d | .410652 | .00582167 |
| 5 | 5d | .814455 | .00216537 |
| 6 | 4d | 2.971398 | -.00028011 |
| ORB.ENERGY,a.u. | -.080519 | ||
| NORM | 1.000003 | < R > | 17.255763 | < R2 > | 337.709361 | < 1/R > | .079947 | < 1/R**2 > | .012769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930138 | .75888549 |
| 2 | 1s | 3.102270 | .25435988 |
| 3 | 2s | 2.935565 | -.01453034 |
| 4 | 3s | 2.994681 | -.00084802 |
| ORB.ENERGY,a.u. | -4.400500 |
| NORM | 1.000000 | < R > | .499991 | < R2 > | .333318 | < 1/R > | 3.000028 | < 1/R**2 > | 18.000251 |
Total Energy= -4.58068606 a.u.
Kinetic Energy= 4.57997834 a.u.
Potential Energy= -9.16066440 a.u.
Virial Ratio = -2.00015452