(1s 2 2s 2 2p 1 5d 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | 1.055671 | 1.54936518 |
| 2 | 4d | .903890 | -3.61143755 |
| 3 | 5d | .781839 | 2.91787897 |
| 4 | 3d | 3.723607 | .02141639 |
| 5 | 4d | .606182 | -.14308549 |
| 6 | 5d | 2.008324 | -.05422666 |
| 7 | 4d | 8.494432 | -.00045203 |
| ORB.ENERGY,a.u. | -.327480 | ||
| NORM | .999994 | < R > | 8.385759 | < R2 > | 79.985513 | < 1/R > | .168149 | < 1/R**2 > | .060584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.100713 | -1.71407538 |
| 2 | 2p | 3.376710 | 2.09665628 |
| 3 | 2p | 3.173468 | .56733065 |
| 4 | 3p | 5.682812 | -.14680158 |
| 5 | 4p | 7.555330 | .03435209 |
| 6 | 4p | 3.380630 | .20780136 |
| 7 | 3p | 34.229673 | .00005078 |
| 8 | 3p | 40.765654 | -.00002421 |
| ORB.ENERGY,a.u. | -4.008900 | ||
| NORM | 1.000000 | < R > | .766384 | < R2 > | .716794 | < 1/R > | 1.666796 | < 1/R**2 > | 3.812354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.046582 | .31002027 |
| 2 | 2s | 2.937156 | -.78681480 |
| 3 | 3s | 4.683424 | -.27321709 |
| 4 | 4s | 12.478932 | .00530778 |
| 5 | 5s | 9.889452 | -.01126113 |
| 6 | 5s | 2.970715 | .01965529 |
| 7 | 4s | 20.449401 | .00100263 |
| 8 | 4s | 2.137880 | -.00756343 |
| 9 | 5s | 60.842823 | .00001678 |
| 10 | 2s | 1.161452 | .00192720 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843610 | < R2 > | .836679 | < 1/R > | 1.711059 | < 1/R**2 > | 11.862596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.339633 | .00124022 |
| 2 | 1s | 8.053592 | .85122397 |
| 3 | 1s | 12.613978 | .14421039 |
| 4 | 2s | 11.021431 | .02091274 |
| 5 | 3s | 9.807453 | -.01581305 |
| 6 | 4s | 15.750773 | .00477845 |
| 7 | 5s | 28.684524 | .00028309 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174825 | < R2 > | .041062 | < 1/R > | 8.657639 | < 1/R**2 > | 151.555120 |
Total Energy= -92.45704827 a.u.
Kinetic Energy= 92.45425222 a.u.
Potential Energy= -184.91130048 a.u.
Virial Ratio = -2.00003024