(1s 2 2s 2 2p 4 3d 1 ) 2 F P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 2.488181 | 1.11723176 |
| 2 | 3d | 6.670237 | .03260787 |
| 3 | 4d | 3.174286 | -.14283744 |
| 4 | 5d | 93.526322 | -.00000510 |
| 5 | 5d | 2.331782 | .01341062 |
| 6 | 4d | 62.405877 | .00001072 |
| ORB.ENERGY,a.u. | -2.839600 | ||
| NORM | 1.000000 | < R > | 1.394579 | < R2 > | 2.250175 | < 1/R > | .852587 | < 1/R**2 > | .898614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.076892 | 1.20931191 |
| 2 | 3p | 5.872268 | -.28157328 |
| 3 | 2p | 11.533856 | .06713672 |
| 4 | 4p | 13.541805 | .01180972 |
| 5 | 5p | 35.846099 | -.00017237 |
| 6 | 5p | 3.432023 | .00075472 |
| ORB.ENERGY,a.u. | -10.368000 | ||
| NORM | 1.000000 | < R > | .442181 | < R2 > | .240257 | < 1/R > | 2.907989 | < 1/R**2 > | 11.663840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.013780 | .38689519 |
| 2 | 2s | 6.270301 | -.84598233 |
| 3 | 3s | 5.689403 | -.29821249 |
| 4 | 4s | 16.469596 | .00847583 |
| 5 | 3s | 19.308229 | .00612176 |
| 6 | 5s | 29.880529 | .00088578 |
| 7 | 5s | 5.308997 | -.00626285 |
| 8 | 3s | 48.248348 | -.00007746 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .490566 | < R2 > | .283817 | < 1/R > | 2.978509 | < 1/R**2 > | 36.300508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211226 | .92279077 |
| 2 | 1s | 20.927261 | .07367683 |
| 3 | 2s | 8.787574 | .02034269 |
| 4 | 3s | 10.794074 | -.02028821 |
| 5 | 4s | 13.367835 | .00938742 |
| 6 | 5s | 36.017678 | .00086446 |
| 7 | 4s | 85.281927 | -.00003384 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103533 | < R2 > | .014394 | < 1/R > | 14.597405 | < 1/R**2 > | 429.688666 |
Total Energy= -319.54862710 a.u.
Kinetic Energy= 319.52773516 a.u.
Potential Energy= -639.07636226 a.u.
Virial Ratio = -2.00006538