(1s 2 ) 1 S He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1010.
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 | 1s- electron | |
1 | 1s | 1.289172 | .61470321 |
2 | 1s | 2.136297 | .47303062 |
3 | 2s | 2.848319 | -.05719909 |
4 | 3s | 1.399051 | -.02326377 |
5 | 4s | 2.744632 | .00747754 |
6 | 5s | 9.346987 | -.00038760 |
7 | 3s | 24.962220 | .00002221 |
ORB.ENERGY,a.u. | -.861750 |
NORM | 1.000000 | < R > | .927273 | < R2 > | 1.184827 | < 1/R > | 1.687282 | < 1/R**2 > | 5.995514 |
Total Energy= -2.86167994 a.u.
Kinetic Energy= 2.86168043 a.u.
Potential Energy= -5.72336037 a.u.
Virial Ratio = -1.99999983