(1s 2 2s 2 2p 1 3d 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 1.391792 | .91131898 |
| 2 | 4d | 8.071002 | -.00073952 |
| 3 | 5d | 35.696293 | .00000376 |
| 4 | 3d | 3.451242 | .05186564 |
| 5 | 4d | 1.321052 | .04886004 |
| 6 | 5d | 3.090934 | .02039701 |
| ORB.ENERGY,a.u. | -.913580 | ||
| NORM | 1.000000 | < R > | 2.478390 | < R2 > | 7.100494 | < 1/R > | .479183 | < 1/R**2 > | .283342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.075417 | .84921271 |
| 2 | 2p | 4.791791 | .16145234 |
| 3 | 2p | 10.414295 | .00805972 |
| 4 | 3p | 4.998794 | -.01029659 |
| 5 | 4p | 2.687252 | .01974233 |
| 6 | 4p | 15.700481 | -.00065343 |
| ORB.ENERGY,a.u. | -3.668500 | ||
| NORM | 1.000000 | < R > | .769970 | < R2 > | .725330 | < 1/R > | 1.662168 | < 1/R**2 > | 3.796261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.085164 | .30694566 |
| 2 | 2s | 2.890813 | -.78529182 |
| 3 | 3s | 4.688201 | -.26963054 |
| 4 | 4s | 16.452847 | .00243101 |
| 5 | 5s | 9.191022 | -.01709020 |
| 6 | 5s | 3.302884 | .02787911 |
| 7 | 4s | 35.174978 | .00004091 |
| 8 | 4s | 2.685304 | -.00816467 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .846469 | < R2 > | .843349 | < 1/R > | 1.706079 | < 1/R**2 > | 11.800591 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.309355 | .00123651 |
| 2 | 1s | 8.053803 | .85120680 |
| 3 | 1s | 12.612091 | .14424592 |
| 4 | 2s | 11.016057 | .02090440 |
| 5 | 3s | 9.802365 | -.01581525 |
| 6 | 4s | 15.743045 | .00476662 |
| 7 | 5s | 28.624384 | .00028588 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174822 | < R2 > | .041060 | < 1/R > | 8.657769 | < 1/R**2 > | 151.558905 |
Total Energy= -93.05517076 a.u.
Kinetic Energy= 93.04038739 a.u.
Potential Energy= -186.09555815 a.u.
Virial Ratio = -2.00015889