(1s 1 4p 1 ) 1 P He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | .258852 | 2.06127540 |
2 | 3p | .259282 | -5.01810944 |
3 | 4p | .242855 | 3.76001355 |
4 | 5p | .231761 | -.14971702 |
5 | 3p | 2.246068 | -.00589603 |
6 | 4p | 1.381561 | -.00841653 |
ORB.ENERGY,a.u. | -.031004 |
NORM | .999996 | < R > | 23.279949 | < R2 > | 614.322667 | < 1/R > | .061371 | < 1/R**2 > | .009769 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.944724 | .75633614 |
2 | 1s | 2.096549 | .25619525 |
3 | 2s | 1.894580 | -.01341588 |
4 | 3s | 1.887088 | -.00163935 |
5 | 4s | 2.190000 | .00035854 |
ORB.ENERGY,a.u. | -1.906000 |
NORM | 1.000000 | < R > | .749774 | < R2 > | .749437 | < 1/R > | 2.000375 | < 1/R**2 > | 8.002334 |
Total Energy= -2.03158030 a.u.
Kinetic Energy= 2.03089615 a.u.
Potential Energy= -4.06247644 a.u.
Virial Ratio = -2.00033687