(1s 2 ) 1 S Cl 15+
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 | 16.493976 | .96525536 |
2 | 1s | 27.031159 | .02891617 |
3 | 2s | 17.218892 | .01134656 |
4 | 3s | 24.011420 | -.00488167 |
5 | 5s | 33.489276 | .00181712 |
6 | 4s | 39.766371 | .00120713 |
ORB.ENERGY,a.u. | -134.980000 |
NORM | 1.000000 | < R > | .090229 | < R2 > | .010886 | < 1/R > | 16.687498 | < 1/R**2 > | 559.715801 |
Total Energy= -278.48606800 a.u.
Kinetic Energy= 278.48606857 a.u.
Potential Energy= -556.97213657 a.u.
Virial Ratio = -2.00000000