(1s 2 2s 2 2p 3 3s 1 ) 5 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 8.831497 | .10821598 |
| 2 | 2s | 2.920702 | -.44645569 |
| 3 | 3s | 1.481144 | 1.10441657 |
| 4 | 4s | 7.033997 | -.04712063 |
| 5 | 5s | 12.563875 | -.00466254 |
| 6 | 5s | 1.376094 | .02068123 |
| 7 | 4s | 11.116350 | -.00014036 |
| 8 | 2s | 15.431958 | .00079499 |
| ORB.ENERGY,a.u. | -.904080 | ||
| NORM | 1.000000 | < R > | 2.535080 | < R2 > | 7.334040 | < 1/R > | .546361 | < 1/R**2 > | 1.810200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.599064 | 1.72078383 |
| 2 | 2p | 7.525363 | .07357152 |
| 3 | 3p | 3.477610 | -.58302764 |
| 4 | 4p | 3.036514 | -.28949293 |
| 5 | 4p | 7.501501 | .02718897 |
| 6 | 5p | 12.660091 | .00309353 |
| ORB.ENERGY,a.u. | -3.092300 | ||
| NORM | 1.000000 | < R > | .747466 | < R2 > | .692624 | < 1/R > | 1.737575 | < 1/R**2 > | 4.214995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.271404 | .33040249 |
| 2 | 2s | 3.798083 | -.83925696 |
| 3 | 3s | 3.226337 | -.28963997 |
| 4 | 4s | 14.572303 | .00288736 |
| 5 | 3s | 10.478177 | .01568590 |
| 6 | 5s | 4.376785 | .01549117 |
| 7 | 4s | 1.707805 | -.02019118 |
| 8 | 5s | 57.274691 | -.00002439 |
| 9 | 3s | .743135 | -.00037514 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .807691 | < R2 > | .780105 | < 1/R > | 1.797152 | < 1/R**2 > | 13.249216 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.072025 | .86411571 |
| 2 | 1s | 13.095865 | .14353328 |
| 3 | 1s | 6.237188 | -.00001630 |
| 4 | 3s | 6.870939 | .00490519 |
| 5 | 4s | 19.281093 | .00330626 |
| 6 | 2s | 8.093790 | -.00821643 |
| 7 | 5s | 66.834804 | -.00000980 |
| 8 | 5s | 2.517571 | .00058919 |
| 9 | 3s | .968028 | .00025073 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157254 | < R2 > | .033267 | < 1/R > | 9.631374 | < 1/R**2 > | 187.583259 |
Total Energy= -124.98739232 a.u.
Kinetic Energy= 125.00748084 a.u.
Potential Energy= -249.99487315 a.u.
Virial Ratio = -1.99983930