(1s 2 2s 2 2p 2 3p 1 ) 2 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3p- electron | |
| 1 | 2p | 4.999072 | .70070140 |
| 2 | 3p | 3.232741 | -1.29046541 |
| 3 | 2p | 12.529509 | .02490744 |
| 4 | 4p | 7.823636 | -.06189143 |
| 5 | 5p | 19.090165 | .00215108 |
| 6 | 5p | 3.350762 | .02641656 |
| ORB.ENERGY,a.u. | -5.324600 | ||
| NORM | 1.000000 | < R > | 1.180103 | < R2 > | 1.597083 | < 1/R > | 1.160877 | < 1/R**2 > | 2.826395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.689205 | 1.14015475 |
| 2 | 3p | 6.450946 | -.18226548 |
| 3 | 2p | 12.989273 | .03541645 |
| 4 | 4p | 3.450641 | .00219753 |
| 5 | 4p | 14.325580 | .00874556 |
| 6 | 5p | 33.724161 | -.00021692 |
| ORB.ENERGY,a.u. | -14.638000 | ||
| NORM | 1.000000 | < R > | .411192 | < R2 > | .205695 | < 1/R > | 3.090660 | < 1/R**2 > | 13.002842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.949210 | .40891569 |
| 2 | 2s | 6.421301 | -.85455912 |
| 3 | 3s | 6.569134 | -.28067393 |
| 4 | 4s | 25.032072 | .00215561 |
| 5 | 3s | 14.178144 | .01631053 |
| 6 | 5s | 6.291989 | -.02508043 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468971 | < R2 > | .258090 | < 1/R > | 3.122321 | < 1/R**2 > | 39.611080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.106650 | .92227980 |
| 2 | 1s | 21.640641 | .07666724 |
| 3 | 2s | 13.481636 | .01934356 |
| 4 | 3s | 16.758221 | -.01552638 |
| 5 | 5s | 35.362984 | .00090798 |
| 6 | 4s | 81.919030 | -.00004107 |
| 7 | 5s | 12.645746 | .00060151 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103223 | < R2 > | .014288 | < 1/R > | 14.624828 | < 1/R**2 > | 430.933409 |
Total Energy= -296.88937064 a.u.
Kinetic Energy= 297.01544986 a.u.
Potential Energy= -593.90482050 a.u.
Virial Ratio = -1.99957551