(1s 2 2s 2 2p 2 3s 1 ) 2 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 12.081787 | .17201375 |
| 2 | 2s | 4.257187 | -.97968638 |
| 3 | 3s | 3.390262 | 1.58277340 |
| 4 | 4s | 12.725132 | -.02550850 |
| 5 | 5s | 9.565107 | -.02560817 |
| 6 | 4s | 53.913175 | -.00006082 |
| 7 | 5s | 2.811861 | .00064518 |
| ORB.ENERGY,a.u. | -5.610800 | ||
| NORM | 1.000000 | < R > | 1.225908 | < R2 > | 1.691282 | < 1/R > | 1.131972 | < 1/R**2 > | 7.467139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.820881 | 1.14065992 |
| 2 | 3p | 6.924525 | -.16210743 |
| 3 | 2p | 14.768935 | .01937663 |
| 4 | 4p | 18.452643 | .00663224 |
| 5 | 5p | 26.920733 | -.00154141 |
| 6 | 5p | 4.452155 | .00012851 |
| 7 | 4p | 74.455774 | .00002400 |
| ORB.ENERGY,a.u. | -14.563000 | ||
| NORM | 1.000000 | < R > | .410902 | < R2 > | .205131 | < 1/R > | 3.090349 | < 1/R**2 > | 12.995478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.733945 | .42402730 |
| 2 | 2s | 6.569365 | -.87152670 |
| 3 | 3s | 6.480776 | -.29117023 |
| 4 | 4s | 25.757501 | .00216045 |
| 5 | 3s | 13.278479 | .02520212 |
| 6 | 5s | 7.018347 | -.02055356 |
| 7 | 4s | 3.368893 | .01453284 |
| 8 | 3s | 2.678938 | -.00611332 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .464140 | < R2 > | .251956 | < 1/R > | 3.151720 | < 1/R**2 > | 40.283251 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.191275 | .90636526 |
| 2 | 1s | 20.416524 | .08812231 |
| 3 | 2s | 11.125544 | .02051577 |
| 4 | 3s | 13.864847 | -.01050317 |
| 5 | 5s | 36.878852 | .00093970 |
| 6 | 5s | 4.366483 | -.00093176 |
| 7 | 3s | 62.965313 | -.00005545 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103222 | < R2 > | .014289 | < 1/R > | 14.625212 | < 1/R**2 > | 430.950802 |
Total Energy= -297.34816202 a.u.
Kinetic Energy= 297.29310362 a.u.
Potential Energy= -594.64126564 a.u.
Virial Ratio = -2.00018520