(1s 1 5p 1 ) 3 P He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
1 | 2p | .167716 | 5.22979084 |
2 | 3p | .263020 | -5.98576088 |
3 | 4p | .177662 | 8.45800205 |
4 | 5p | .192698 | -8.98352316 |
5 | 3p | .574064 | -.07848455 |
6 | 2p | 1.904767 | .00689238 |
ORB.ENERGY,a.u. | -.020556 |
NORM | 1.000011 | < R > | 35.660739 | < R2 > | 1432.710323 | < 1/R > | .041572 | < 1/R**2 > | .006391 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.921449 | .62731117 |
2 | 1s | 2.073834 | .38735268 |
3 | 2s | 1.922142 | -.01545261 |
4 | 3s | 2.217261 | -.00150707 |
5 | 4s | 3.949551 | .00007559 |
ORB.ENERGY,a.u. | -1.940600 |
NORM | 1.000000 | < R > | .750355 | < R2 > | .750858 | < 1/R > | 1.999381 | < 1/R**2 > | 7.996115 |
Total Energy= -2.02024157 a.u.
Kinetic Energy= 2.02044904 a.u.
Potential Energy= -4.04069061 a.u.
Virial Ratio = -1.99989732