(1s 2 2s 2 2p 1 3d 1 ) 3 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.399480 | .94931046 |
| 2 | 4d | 7.877712 | -.00092878 |
| 3 | 5d | 1.091859 | -.00703075 |
| 4 | 3d | 3.684969 | .03440839 |
| 5 | 4d | 1.126942 | .02806124 |
| 6 | 5d | 3.298237 | .01952059 |
| ORB.ENERGY,a.u. | -.927370 | ||
| NORM | 1.000000 | < R > | 2.466921 | < R2 > | 7.016046 | < 1/R > | .479248 | < 1/R**2 > | .281402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.191172 | .01458221 |
| 2 | 2p | 3.633387 | .91499005 |
| 3 | 3p | 5.884321 | -.04675475 |
| 4 | 4p | 3.494621 | .16503555 |
| 5 | 4p | 12.700175 | -.00413082 |
| 6 | 5p | 1.686082 | -.00076480 |
| 7 | 3p | 14.192535 | -.00167197 |
| ORB.ENERGY,a.u. | -3.682300 | ||
| NORM | 1.000000 | < R > | .767319 | < R2 > | .718374 | < 1/R > | 1.664778 | < 1/R**2 > | 3.803793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.085656 | .30691311 |
| 2 | 2s | 2.890036 | -.78541998 |
| 3 | 3s | 4.687806 | -.26957027 |
| 4 | 4s | 16.483702 | .00240479 |
| 5 | 5s | 9.192010 | -.01717895 |
| 6 | 5s | 3.310196 | .02814365 |
| 7 | 4s | 35.419455 | .00003922 |
| 8 | 4s | 2.703055 | -.00816185 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .846475 | < R2 > | .843353 | < 1/R > | 1.706056 | < 1/R**2 > | 11.800277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.328718 | .00125342 |
| 2 | 1s | 8.053189 | .85098609 |
| 3 | 1s | 12.610342 | .14443269 |
| 4 | 2s | 11.018655 | .02092926 |
| 5 | 3s | 9.800061 | -.01583148 |
| 6 | 4s | 15.740751 | .00478019 |
| 7 | 5s | 28.671297 | .00028547 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174823 | < R2 > | .041061 | < 1/R > | 8.657740 | < 1/R**2 > | 151.558102 |
Total Energy= -93.05503996 a.u.
Kinetic Energy= 93.05418585 a.u.
Potential Energy= -186.10922582 a.u.
Virial Ratio = -2.00000918