(1s 2 2s 2 2p 2 3d 1 ) 2 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 3.129886 | 1.09974637 |
| 2 | 3d | 7.268959 | .02917949 |
| 3 | 4d | 3.703137 | -.11779504 |
| 4 | 5d | 21.843528 | -.00016148 |
| 5 | 4d | 54.135487 | .00000396 |
| ORB.ENERGY,a.u. | -4.710200 | ||
| NORM | 1.000000 | < R > | 1.091154 | < R2 > | 1.372654 | < 1/R > | 1.082607 | < 1/R**2 > | 1.431900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.724980 | 1.18483556 |
| 2 | 3p | 6.652029 | -.21070272 |
| 3 | 2p | 14.707858 | .02010098 |
| 4 | 4p | 17.720261 | .00740232 |
| 5 | 5p | 3.608365 | .00029954 |
| 6 | 5p | 25.386255 | -.00169400 |
| 7 | 4p | 69.174988 | .00003179 |
| ORB.ENERGY,a.u. | -14.492000 | ||
| NORM | 1.000000 | < R > | .411212 | < R2 > | .205665 | < 1/R > | 3.090369 | < 1/R**2 > | 13.001093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922721 | .41055814 |
| 2 | 2s | 6.447994 | -.85379386 |
| 3 | 3s | 6.567589 | -.28079442 |
| 4 | 4s | 24.830144 | .00219133 |
| 5 | 3s | 14.338878 | .01604167 |
| 6 | 5s | 6.429364 | -.02795099 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468729 | < R2 > | .257851 | < 1/R > | 3.124377 | < 1/R**2 > | 39.658392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110345 | .92170810 |
| 2 | 1s | 21.589942 | .07718872 |
| 3 | 2s | 13.477265 | .01931809 |
| 4 | 3s | 16.734996 | -.01553452 |
| 5 | 5s | 35.685066 | .00099013 |
| 6 | 4s | 86.640589 | -.00003303 |
| 7 | 5s | 11.457142 | .00053732 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103182 | < R2 > | .014275 | < 1/R > | 14.628816 | < 1/R**2 > | 431.120000 |
Total Energy= -296.38642922 a.u.
Kinetic Energy= 296.40553077 a.u.
Potential Energy= -592.79195999 a.u.
Virial Ratio = -1.99993556