(1s 1 3p 1 ) 3 P He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
1 | 2p | .311671 | 1.95961371 |
2 | 3p | .339956 | -2.57899195 |
3 | 2p | .836139 | .03473529 |
4 | 3p | .480632 | -.05904277 |
5 | 2p | 1.917056 | .01404347 |
6 | 4p | .281564 | -.01073599 |
ORB.ENERGY,a.u. | -.057697 |
NORM | 1.000000 | < R > | 11.994950 | < R2 > | 166.326909 | < 1/R > | .118445 | < 1/R**2 > | .030298 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.920763 | .62906295 |
2 | 1s | 2.072570 | .38545919 |
3 | 2s | 2.018309 | -.01470404 |
4 | 3s | 2.090552 | -.00258638 |
5 | 4s | 1.872009 | .00134936 |
6 | 5s | 4.833318 | .00003571 |
ORB.ENERGY,a.u. | -1.835500 |
NORM | 1.000000 | < R > | .751714 | < R2 > | .754190 | < 1/R > | 1.997065 | < 1/R**2 > | 7.981650 |
Total Energy= -2.05662374 a.u.
Kinetic Energy= 2.05758978 a.u.
Potential Energy= -4.11421352 a.u.
Virial Ratio = -1.99953050