(1s 2 2s 2 2p 2 ) 1 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 1.787361 | .75275718 |
| 2 | 2p | 3.353997 | .23023878 |
| 3 | 2p | 7.585225 | .00923244 |
| 4 | 3p | 1.506021 | -.00815322 |
| 5 | 4p | 1.654993 | .09436722 |
| 6 | 4p | 12.867132 | -.00061693 |
| ORB.ENERGY,a.u. | -.874140 | ||
| NORM | 1.000000 | < R > | 1.309220 | < R2 > | 2.172807 | < 1/R > | 1.019744 | < 1/R**2 > | 1.498189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.468143 | .25077384 |
| 2 | 2s | 1.874717 | -.78762920 |
| 3 | 3s | 3.502803 | -.24725641 |
| 4 | 4s | 1.946836 | .01713036 |
| 5 | 5s | 7.141492 | -.02308890 |
| 6 | 4s | 13.807259 | .00144087 |
| 7 | 3s | 1.045319 | -.00525049 |
| 8 | 4s | .951912 | .00162492 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.246251 | < R2 > | 1.854039 | < 1/R > | 1.147385 | < 1/R**2 > | 5.347225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.798986 | .00595631 |
| 2 | 1s | 6.245917 | .71106458 |
| 3 | 1s | 9.352993 | .22543995 |
| 4 | 2s | 7.144516 | .08461674 |
| 5 | 3s | 7.924083 | -.01434479 |
| 6 | 4s | 13.175919 | .00515807 |
| 7 | 5s | 1.625787 | .00003687 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .228014 | < R2 > | .070040 | < 1/R > | 6.657959 | < 1/R**2 > | 89.936100 |
Total Energy= -53.88189398 a.u.
Kinetic Energy= 53.69015997 a.u.
Potential Energy= -107.57205395 a.u.
Virial Ratio = -2.00357112