(1s 2 2s 2 3p 1 ) 2 P N 2+
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 | 3p | 1.115589 | -1.24288608 |
| 2 | 2p | 1.691342 | .59313650 |
| 3 | 2p | 4.822569 | .05284498 |
| 4 | 4p | 5.528203 | .02329288 |
| 5 | 5p | 2.973542 | -.04057718 |
| ORB.ENERGY,a.u. | -.606870 | ||
| NORM | 1.000000 | < R > | 3.423620 | < R2 > | 13.451028 | < 1/R > | .402635 | < 1/R**2 > | .356737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.837808 | .32694191 |
| 2 | 2s | 2.606598 | -.85929480 |
| 3 | 3s | 2.706519 | -.23554286 |
| 4 | 4s | 7.528604 | .01646544 |
| 5 | 3s | 8.120967 | .02320568 |
| 6 | 5s | 2.479599 | -.02387236 |
| 7 | 5s | 27.738265 | -.00016865 |
| 8 | 3s | 75.923745 | .00000844 |
| ORB.ENERGY,a.u. | -2.378000 | ||
| NORM | 1.000000 | < R > | 1.120121 | < R2 > | 1.474203 | < 1/R > | 1.277352 | < 1/R**2 > | 6.565059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.243310 | .70870033 |
| 2 | 1s | 9.272779 | .23213848 |
| 3 | 2s | 7.130093 | .08324326 |
| 4 | 3s | 7.988058 | -.01587862 |
| 5 | 4s | 13.068869 | .01035879 |
| 6 | 5s | 16.794068 | -.00213121 |
| 7 | 3s | 34.472792 | .00002566 |
| ORB.ENERGY,a.u. | -17.506000 |
| NORM | 1.000000 | < R > | .227121 | < R2 > | .069350 | < 1/R > | 6.673620 | < 1/R**2 > | 90.254751 |
Total Energy= -51.68915474 a.u.
Kinetic Energy= 51.68915718 a.u.
Potential Energy= -103.37831192 a.u.
Virial Ratio = -1.99999995