(1s 2 2p 1 ) 2 P N 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2.566594 | .97451748 |
| 2 | 2p | 4.899589 | .02896349 |
| 3 | 2p | 7.997554 | .00834628 |
| 4 | 3p | 7.042126 | -.00413379 |
| 5 | 5p | 2.873976 | .00312964 |
| 6 | 5p | 35.413753 | .00003003 |
| ORB.ENERGY,a.u. | -3.222200 | ||
| NORM | 1.000000 | < R > | .960403 | < R2 > | 1.113839 | < 1/R > | 1.314984 | < 1/R**2 > | 2.346144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.238331 | .71253693 |
| 2 | 1s | 9.326744 | .22831036 |
| 3 | 2s | 7.140807 | .08499530 |
| 4 | 3s | 7.898856 | -.01416388 |
| 5 | 4s | 12.687885 | .00497489 |
| 6 | 4s | 12.688156 | -.00007125 |
| 7 | 5s | 5.118740 | .00065950 |
| 8 | 3s | 27.938384 | -.00006435 |
| ORB.ENERGY,a.u. | -18.849000 |
| NORM | 1.000000 | < R > | .227453 | < R2 > | .069619 | < 1/R > | 6.669251 | < 1/R**2 > | 90.188386 |
Total Energy= -47.95777999 a.u.
Kinetic Energy= 47.95777968 a.u.
Potential Energy= -95.91555967 a.u.
Virial Ratio = -2.00000001