(1s 1 2p 1 ) 1 P F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 15.981122 | .00177587 |
| 2 | 2p | 3.960898 | .97980185 |
| 3 | 3p | 5.326571 | .02285384 |
| 4 | 4p | 6.079556 | -.00272819 |
| 5 | 5p | 22.336696 | -.00031355 |
| 6 | 4p | 3.215361 | -.00046633 |
| ORB.ENERGY,a.u. | -7.980200 | ||
| NORM | 1.000000 | < R > | .630981 | < R2 > | .477379 | < 1/R > | 1.979801 | < 1/R**2 > | 5.228275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.858956 | .75783694 |
| 2 | 1s | 9.102433 | .25663507 |
| 3 | 2s | 8.826763 | -.01577782 |
| 4 | 3s | 5.587080 | -.00114750 |
| 5 | 4s | 14.461591 | -.00064466 |
| ORB.ENERGY,a.u. | -38.355000 |
| NORM | 1.000000 | < R > | .166395 | < R2 > | .036894 | < 1/R > | 9.010368 | < 1/R**2 > | 162.305709 |
Total Energy= -48.59379402 a.u.
Kinetic Energy= 48.43273800 a.u.
Potential Energy= -97.02653202 a.u.
Virial Ratio = -2.00332535