(1s 2 2s 2 2p 1 5s 1 ) 3 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 7.619928 | .05542272 |
| 2 | 2s | 1.898592 | -.55777945 |
| 3 | 3s | 1.792500 | .95712112 |
| 4 | 5s | 1.196631 | -3.29803536 |
| 5 | 4s | .781779 | 3.35296997 |
| 6 | 5s | 5.672589 | -.00564927 |
| 7 | 4s | 7.016821 | -.01841426 |
| 8 | 3s | .446843 | -.12983746 |
| 9 | 3s | 24.480233 | -.00006018 |
| 10 | 5s | .436697 | .01812342 |
| ORB.ENERGY,a.u. | -.392780 | ||
| NORM | 1.000000 | < R > | 7.664242 | < R2 > | 65.724479 | < 1/R > | .185870 | < 1/R**2 > | .336456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.096176 | .84840775 |
| 2 | 2p | 4.787189 | .16015193 |
| 3 | 2p | 10.489481 | .00766413 |
| 4 | 3p | 5.356208 | -.01123876 |
| 5 | 4p | 3.138811 | .02018965 |
| 6 | 4p | 15.661779 | -.00066798 |
| ORB.ENERGY,a.u. | -4.010300 | ||
| NORM | 1.000000 | < R > | .766356 | < R2 > | .716680 | < 1/R > | 1.666677 | < 1/R**2 > | 3.811397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.055175 | .30960103 |
| 2 | 2s | 3.017810 | -.73221760 |
| 3 | 3s | 4.260021 | -.27326607 |
| 4 | 4s | 7.384192 | -.05542667 |
| 5 | 5s | 19.224297 | .00086623 |
| 6 | 5s | 1.332982 | .00340666 |
| 7 | 3s | .579755 | -.00332834 |
| 8 | 3s | 28.697500 | -.00008226 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843469 | < R2 > | .836502 | < 1/R > | 1.711408 | < 1/R**2 > | 11.867636 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044907 | .85219806 |
| 2 | 1s | 12.597333 | .14475397 |
| 3 | 1s | 2.961407 | .00097020 |
| 4 | 2s | 10.901135 | .02048190 |
| 5 | 3s | 9.708856 | -.01590296 |
| 6 | 4s | 16.462427 | .00399905 |
| 7 | 5s | 62.227223 | -.00002285 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174828 | < R2 > | .041064 | < 1/R > | 8.657525 | < 1/R**2 > | 151.551543 |
Total Energy= -92.51835606 a.u.
Kinetic Energy= 92.51937309 a.u.
Potential Energy= -185.03772915 a.u.
Virial Ratio = -1.99998901