(1s 1 5d 1 ) 1 D He 0
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 | .200177 | 3.52838318 |
2 | 4d | .200088 | -8.80992265 |
3 | 5d | .199958 | 5.97141492 |
4 | 3d | .200805 | .00392159 |
5 | 5d | .486795 | .00127508 |
6 | 4d | 2.018275 | -.00015978 |
ORB.ENERGY,a.u. | -.020103 |
NORM | 1.000014 | < R > | 34.507831 | < R2 > | 1350.562279 | < 1/R > | .039983 | < 1/R**2 > | .003195 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.944461 | .75741131 |
2 | 1s | 2.096525 | .25522293 |
3 | 2s | 1.917839 | -.01335288 |
4 | 3s | 2.055001 | -.00135869 |
ORB.ENERGY,a.u. | -1.940100 |
NORM | 1.000000 | < R > | .749995 | < R2 > | .749986 | < 1/R > | 2.000007 | < 1/R**2 > | 8.000041 |
Total Energy= -2.02028504 a.u.
Kinetic Energy= 2.01999747 a.u.
Potential Energy= -4.04028251 a.u.
Virial Ratio = -2.00014236