(1s 2 2s 1 5p 1 ) 3 P Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.275483 | 5.39120645 |
| 2 | 3p | 3.727167 | -6.47712716 |
| 3 | 4p | 2.889901 | 7.81342973 |
| 4 | 5p | 2.969248 | -8.06195833 |
| 5 | 2p | 12.514323 | .02057302 |
| 6 | 5p | 17.766288 | .00355185 |
| 7 | 4p | 38.558430 | -.00019440 |
| 8 | 5p | 1.433017 | -.00117963 |
| 9 | 3p | 61.582127 | -.00001197 |
| ORB.ENERGY,a.u. | -4.595900 | ||
| NORM | .999997 | < R > | 2.385498 | < R2 > | 6.406219 | < 1/R > | .612857 | < 1/R**2 > | 1.288032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.549993 | .44231169 |
| 2 | 2s | 7.968309 | -.81856649 |
| 3 | 3s | 9.337205 | -.30666223 |
| 4 | 5s | 16.400886 | -.02211471 |
| 5 | 4s | 33.736509 | .00365890 |
| 6 | 5s | 45.760915 | -.00082426 |
| 7 | 4s | 6.846767 | .00104988 |
| 8 | 3s | 80.532679 | .00002299 |
| 9 | 5s | 1.986285 | -.00006975 |
| ORB.ENERGY,a.u. | -33.189000 | ||
| NORM | 1.000000 | < R > | .358711 | < R2 > | .150061 | < 1/R > | 4.123976 | < 1/R**2 > | 68.474385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.362827 | .93821729 |
| 2 | 1s | 27.331424 | .04913632 |
| 3 | 2s | 21.968226 | .01684628 |
| 4 | 3s | 12.431493 | .00106144 |
| 5 | 4s | 72.394781 | -.00039395 |
| 6 | 5s | 96.739945 | .00014432 |
| 7 | 5s | 8.227294 | .00006528 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085209 | < R2 > | .009712 | < 1/R > | 17.673410 | < 1/R**2 > | 627.812082 |
Total Energy= -351.03311448 a.u.
Kinetic Energy= 351.03639768 a.u.
Potential Energy= -702.06951217 a.u.
Virial Ratio = -1.99999065