(1s 1 3p 1 ) 3 P N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.199064 | 1.24673104 |
| 2 | 3p | 1.956449 | -2.03868991 |
| 3 | 2p | 6.599393 | .01711663 |
| 4 | 4p | 1.975421 | .19409405 |
| 5 | 3p | 4.569867 | .02103025 |
| 6 | 5p | 24.996510 | .00008734 |
| 7 | 3p | 25.810102 | .00003325 |
| ORB.ENERGY,a.u. | -2.049800 | ||
| NORM | 1.000000 | < R > | 2.046537 | < R2 > | 4.828255 | < 1/R > | .682109 | < 1/R**2 > | .948990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.871301 | .75763901 |
| 2 | 1s | 7.101309 | .25638466 |
| 3 | 2s | 7.272049 | -.01530426 |
| 4 | 3s | 11.074884 | -.00048345 |
| 5 | 4s | 21.747255 | .00004023 |
| 6 | 5s | 3.742060 | -.00046271 |
| 7 | 5s | 3.741903 | .00008122 |
| ORB.ENERGY,a.u. | -23.828000 |
| NORM | 1.000000 | < R > | .214656 | < R2 > | .061463 | < 1/R > | 6.991247 | < 1/R**2 > | 97.801481 |
Total Energy= -26.52122039 a.u.
Kinetic Energy= 26.53330531 a.u.
Potential Energy= -53.05452569 a.u.
Virial Ratio = -1.99954454