(1s 2 2s 2 2p 1 5p 1 ) 1 D S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 5.089795 | .31963499 |
| 2 | 3p | 2.579040 | -3.36659896 |
| 3 | 4p | 2.265955 | 9.30373958 |
| 4 | 5p | 2.267267 | -6.82084401 |
| 5 | 2p | 13.340989 | .00515495 |
| 6 | 5p | 7.955937 | .02615255 |
| 7 | 5p | 4.109948 | -.16314241 |
| 8 | 4p | 33.287604 | -.00012894 |
| ORB.ENERGY,a.u. | -2.552000 | ||
| NORM | 1.000002 | < R > | 3.142416 | < R2 > | 11.109982 | < 1/R > | .432503 | < 1/R**2 > | .476360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.827989 | 1.14427029 |
| 2 | 3p | 1.702694 | -.50986190 |
| 3 | 3p | 9.506178 | -.14225184 |
| 4 | 4p | 2.588659 | .23502918 |
| 5 | 5p | 2.820877 | .23322009 |
| 6 | 5p | 15.182051 | .01125501 |
| 7 | 4p | 30.515920 | -.00132161 |
| 8 | 5p | 1.783743 | .07704001 |
| 9 | 3p | 42.405296 | -.00014858 |
| 10 | 4p | 1.565239 | -.02738075 |
| ORB.ENERGY,a.u. | -20.285000 | ||
| NORM | 1.000000 | < R > | .373308 | < R2 > | .202166 | < 1/R > | 3.467552 | < 1/R**2 > | 16.256388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753678 | .37955312 |
| 2 | 2s | 6.122006 | -.81175684 |
| 3 | 3s | 8.809473 | -.28434761 |
| 4 | 4s | 29.859506 | .00131207 |
| 5 | 5s | 17.066022 | -.00972559 |
| 6 | 5s | 6.762440 | .01722694 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424196 | < R2 > | .210484 | < 1/R > | 3.461935 | < 1/R**2 > | 48.455274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173880 | .93484053 |
| 2 | 1s | 23.779948 | .06259604 |
| 3 | 2s | 14.176372 | .02488218 |
| 4 | 3s | 22.935701 | -.00903482 |
| 5 | 4s | 18.929658 | -.01195958 |
| 6 | 5s | 41.729651 | .00073951 |
| 7 | 3s | 75.164378 | -.00002941 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096368 | < R2 > | .012437 | < 1/R > | 15.646601 | < 1/R**2 > | 492.712258 |
Total Energy= -318.94728680 a.u.
Kinetic Energy= 318.93418851 a.u.
Potential Energy= -637.88147530 a.u.
Virial Ratio = -2.00004107