(1s 2 4p 1 ) 2 P N 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | .696512 | .07291726 |
| 2 | 2p | 1.263994 | 2.07204939 |
| 3 | 3p | 1.270070 | -5.86338181 |
| 4 | 4p | 1.269634 | 4.38716444 |
| 5 | 2p | 4.132779 | .03954047 |
| 6 | 3p | 5.927518 | -.01388353 |
| 7 | 5p | 18.197975 | -.00014536 |
| 8 | 5p | .753024 | -.00590353 |
| ORB.ENERGY,a.u. | -.793690 | ||
| NORM | .999998 | < R > | 4.524747 | < R2 > | 23.233377 | < 1/R > | .319989 | < 1/R**2 > | .283992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.260379 | .70793728 |
| 2 | 1s | 9.249237 | .23298712 |
| 3 | 2s | 7.096535 | .08416137 |
| 4 | 3s | 7.324044 | -.01404187 |
| 5 | 4s | 12.659104 | .00494089 |
| 6 | 5s | 51.524709 | -.00002130 |
| 7 | 5s | 6.802158 | -.00059849 |
| ORB.ENERGY,a.u. | -19.899000 |
| NORM | 1.000000 | < R > | .226570 | < R2 > | .068956 | < 1/R > | 6.685498 | < 1/R**2 > | 90.526336 |
Total Energy= -45.52972314 a.u.
Kinetic Energy= 45.52972779 a.u.
Potential Energy= -91.05945092 a.u.
Virial Ratio = -1.99999990