(1s 1 5p 1 ) 3 P N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
1 | 2p | .916483 | 5.81065742 |
2 | 3p | 1.516312 | -6.51144363 |
3 | 4p | 1.081298 | 8.58491393 |
4 | 5p | 1.157378 | -9.36334287 |
5 | 2p | 10.006986 | .00164125 |
6 | 5p | 3.168848 | .03788393 |
7 | 3p | 9.944154 | .00131919 |
8 | 4p | .462618 | -.00145706 |
ORB.ENERGY,a.u. | -.743200 |
NORM | 1.000018 | < R > | 6.022999 | < R2 > | 40.847405 | < 1/R > | .243136 | < 1/R**2 > | .202193 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 6.878640 | .75769244 |
2 | 1s | 7.102269 | .25605801 |
3 | 2s | 7.004210 | -.01552798 |
4 | 3s | 8.457976 | -.00021366 |
5 | 4s | 4.863176 | -.00014462 |
ORB.ENERGY,a.u. | -24.263000 |
NORM | 1.000000 | < R > | .214356 | < R2 > | .061269 | < 1/R > | 6.998276 | < 1/R**2 > | 97.960525 |
Total Energy= -25.22459831 a.u.
Kinetic Energy= 25.22706704 a.u.
Potential Energy= -50.45166535 a.u.
Virial Ratio = -1.99990214