(1s 1 2p 1 ) 3 P N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 3.266481 | .85182844 |
| 2 | 3p | 3.110188 | .14977215 |
| 3 | 2p | 6.646053 | .01988607 |
| 4 | 4p | 9.631897 | -.00160011 |
| 5 | 5p | 31.406713 | .00002614 |
| 6 | 4p | 1.934598 | -.00017722 |
| ORB.ENERGY,a.u. | -4.633400 | ||
| NORM | 1.000000 | < R > | .806702 | < R2 > | .784425 | < 1/R > | 1.560012 | < 1/R**2 > | 3.278536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.787907 | .76748424 |
| 2 | 1s | 7.250409 | .24890909 |
| 3 | 2s | 6.910322 | -.02306688 |
| 4 | 3s | 6.179268 | .00777672 |
| 5 | 5s | 16.177379 | -.00052256 |
| 6 | 5s | 4.631967 | .00030249 |
| 7 | 4s | 23.852619 | -.00011783 |
| ORB.ENERGY,a.u. | -23.008000 |
| NORM | 1.000000 | < R > | .215959 | < R2 > | .062373 | < 1/R > | 6.963733 | < 1/R**2 > | 97.197118 |
Total Energy= -29.07113014 a.u.
Kinetic Energy= 29.11616470 a.u.
Potential Energy= -58.18729484 a.u.
Virial Ratio = -1.99845328