(1s 1 4p 1 ) 3 P He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
1 | 2p | .109933 | .32932966 |
2 | 2p | .267204 | 1.80585585 |
3 | 3p | .259719 | -5.45716184 |
4 | 4p | .259240 | 4.06404284 |
5 | 5p | .153842 | -.11543294 |
6 | 2p | 1.055987 | .05539814 |
7 | 3p | 1.503411 | -.02305056 |
ORB.ENERGY,a.u. | -.032229 |
NORM | .999981 | < R > | 22.328334 | < R2 > | 566.289007 | < 1/R > | .065580 | < 1/R**2 > | .012595 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.943957 | .75595100 |
2 | 1s | 2.094597 | .25662777 |
3 | 2s | 1.968121 | -.01307571 |
4 | 3s | 2.477377 | -.00135968 |
5 | 4s | 4.723957 | .00013638 |
ORB.ENERGY,a.u. | -1.907200 |
NORM | 1.000000 | < R > | .750702 | < R2 > | .751695 | < 1/R > | 1.998780 | < 1/R**2 > | 7.992353 |
Total Energy= -2.03171444 a.u.
Kinetic Energy= 2.03212200 a.u.
Potential Energy= -4.06383644 a.u.
Virial Ratio = -1.99979944