(1s 2 3p 1 ) 2 P N 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 1.627719 | 1.77444531 |
| 2 | 3p | 1.699873 | -2.38743366 |
| 3 | 2p | 3.565111 | .01973645 |
| 4 | 3p | 2.973754 | -.02354346 |
| 5 | 2p | 7.898530 | .00728651 |
| 6 | 5p | 1.685741 | -.01456220 |
| 7 | 4p | 30.012140 | .00002056 |
| ORB.ENERGY,a.u. | -1.418300 | ||
| NORM | .999998 | < R > | 2.443233 | < R2 > | 6.886177 | < 1/R > | .573676 | < 1/R**2 > | .679871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.257610 | .70823708 |
| 2 | 1s | 9.258260 | .23250259 |
| 3 | 2s | 7.077676 | .08483603 |
| 4 | 3s | 7.163181 | -.01421945 |
| 5 | 4s | 12.622920 | .00432956 |
| 6 | 5s | 45.769656 | -.00003659 |
| 7 | 5s | 3.111687 | -.00015385 |
| ORB.ENERGY,a.u. | -19.629000 |
| NORM | 1.000000 | < R > | .226718 | < R2 > | .069063 | < 1/R > | 6.682606 | < 1/R**2 > | 90.465260 |
Total Energy= -46.15415619 a.u.
Kinetic Energy= 46.15415562 a.u.
Potential Energy= -92.30831181 a.u.
Virial Ratio = -2.00000001