(1s 1 3d 1 ) 1 D He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | .333124 | .99756136 |
| 2 | 4d | .481918 | .00249867 |
| 3 | 5d | 2.829149 | -.00019585 |
| ORB.ENERGY,a.u. | -.055653 | ||
| NORM | 1.000000 | < R > | 10.503455 | < R2 > | 126.074987 | < 1/R > | .111059 | < 1/R**2 > | .014796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.921824 | .62696915 |
| 2 | 1s | 2.074063 | .38770465 |
| 3 | 2s | 1.906152 | -.01548112 |
| 4 | 3s | 2.023101 | -.00161694 |
| ORB.ENERGY,a.u. | -1.833400 |
| NORM | 1.000000 | < R > | .749984 | < R2 > | .749957 | < 1/R > | 2.000022 | < 1/R**2 > | 8.000125 |
Total Energy= -2.05646819 a.u.
Kinetic Energy= 2.05554674 a.u.
Potential Energy= -4.11201493 a.u.
Virial Ratio = -2.00044827