(1s 2 2s 2 2p 3 ) 2 P P 8+
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 | 5.597911 | 1.19539257 |
| 2 | 3p | 6.945366 | -.22103062 |
| 3 | 2p | 13.694465 | .02362005 |
| 4 | 4p | 15.639940 | .00505076 |
| 5 | 5p | 33.318447 | -.00024736 |
| 6 | 5p | 4.696494 | .00369629 |
| 7 | 4p | 3.430828 | -.00106044 |
| ORB.ENERGY,a.u. | -13.094000 | ||
| NORM | 1.000000 | < R > | .426683 | < R2 > | .222470 | < 1/R > | 2.995963 | < 1/R**2 > | 12.304034 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.007662 | .39795574 |
| 2 | 2s | 6.339813 | -.84827552 |
| 3 | 3s | 6.263232 | -.28135087 |
| 4 | 4s | 25.050063 | .00213699 |
| 5 | 3s | 14.378565 | .01394318 |
| 6 | 5s | 6.334735 | -.02342952 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .477667 | < R2 > | .268128 | < 1/R > | 3.061315 | < 1/R**2 > | 38.187688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.125256 | .92341283 |
| 2 | 1s | 22.190532 | .07191408 |
| 3 | 2s | 15.231891 | .02060407 |
| 4 | 3s | 17.955786 | -.01303655 |
| 5 | 5s | 36.839222 | .00079530 |
| 6 | 4s | 9.166287 | .00057232 |
| 7 | 5s | 14.864848 | .00163124 |
| 8 | 2s | 96.277526 | .00000904 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103369 | < R2 > | .014338 | < 1/R > | 14.611966 | < 1/R**2 > | 430.349737 |
Total Energy= -305.38749444 a.u.
Kinetic Energy= 304.78146226 a.u.
Potential Energy= -610.16895670 a.u.
Virial Ratio = -2.00198842