(1s 1 5s 1 ) 3 S He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
1 | 1s | 2.224480 | .03480941 |
2 | 2s | .209194 | -3.74821918 |
3 | 3s | .308148 | 4.62753279 |
4 | 4s | .184053 | -7.96481872 |
5 | 5s | .201900 | 8.23338555 |
6 | 2s | 1.619310 | .03397793 |
7 | 5s | 4.238686 | -.00072572 |
8 | 3s | 11.664098 | .00004406 |
9 | 5s | .076599 | .00242645 |
ORB.ENERGY,a.u. | -.022690 |
NORM | .999983 | < R > | 33.239663 | < R2 > | 1237.838688 | < 1/R > | .043197 | < 1/R**2 > | .015749 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.944652 | .75215502 |
2 | 1s | 2.093810 | .26038172 |
3 | 2s | 1.912406 | -.01326856 |
4 | 3s | 2.147270 | -.00130653 |
ORB.ENERGY,a.u. | -1.942700 |
NORM | 1.000000 | < R > | .749962 | < R2 > | .749938 | < 1/R > | 2.000115 | < 1/R**2 > | 8.000850 |
Total Energy= -2.02226262 a.u.
Kinetic Energy= 2.02257984 a.u.
Potential Energy= -4.04484247 a.u.
Virial Ratio = -1.99984316