(1s 2 2s 2 2p 2 5p 1 ) 2 D O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 1.510204 | .10481470 |
| 2 | 3p | .726264 | -1.05934831 |
| 3 | 4p | .508747 | 2.91078070 |
| 4 | 5p | .445520 | -2.64393950 |
| 5 | 2p | 3.995780 | .02654971 |
| 6 | 5p | 1.265833 | .03083456 |
| 7 | 3p | 6.826418 | -.00198864 |
| ORB.ENERGY,a.u. | -.097934 | ||
| NORM | 1.000009 | < R > | 14.893054 | < R2 > | 249.142161 | < 1/R > | .090632 | < 1/R**2 > | .022446 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.260954 | .74958426 |
| 2 | 2p | 3.990977 | .24813956 |
| 3 | 2p | 9.362127 | .00733024 |
| 4 | 3p | .390287 | -.12909424 |
| 5 | 4p | .532346 | .12740204 |
| 6 | 4p | 4.070394 | .02461079 |
| 7 | 3p | 1.797268 | .01679046 |
| 8 | 5p | 17.593705 | -.00027850 |
| 9 | 4p | 58.512472 | .00000284 |
| ORB.ENERGY,a.u. | -1.891300 | ||
| NORM | 1.000000 | < R > | .985168 | < R2 > | 1.249885 | < 1/R > | 1.320769 | < 1/R**2 > | 2.438918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680612 | .31130261 |
| 2 | 2s | 2.923343 | -.84306895 |
| 3 | 3s | 2.524436 | -.26505639 |
| 4 | 4s | 9.695042 | .01838336 |
| 5 | 3s | 11.241457 | .00703534 |
| 6 | 5s | 2.697095 | -.00625057 |
| 7 | 5s | 19.699910 | .00062614 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034218 | < R2 > | 1.269177 | < 1/R > | 1.387929 | < 1/R**2 > | 7.838674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339871 | .73693877 |
| 2 | 1s | 10.790783 | .19546763 |
| 3 | 1s | 2.232923 | .00412450 |
| 4 | 2s | 7.734043 | .09951290 |
| 5 | 3s | 8.870432 | -.02278087 |
| 6 | 4s | 15.078372 | .00462818 |
| 7 | 5s | 3.862882 | -.00080090 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198219 | < R2 > | .052890 | < 1/R > | 7.650383 | < 1/R**2 > | 118.571345 |
Total Energy= -73.19914377 a.u.
Kinetic Energy= 73.19812760 a.u.
Potential Energy= -146.39727137 a.u.
Virial Ratio = -2.00001388