(1s 2 2s 2 2p 1 5s 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 7.642623 | .05190060 |
| 2 | 2s | 1.028125 | -2.36809793 |
| 3 | 3s | 1.405074 | 3.55489801 |
| 4 | 4s | .809193 | -7.22504381 |
| 5 | 5s | .873443 | 7.17844519 |
| 6 | 5s | 2.168846 | -.18126347 |
| 7 | 4s | 7.056859 | -.01324280 |
| 8 | 3s | .504193 | .03152014 |
| 9 | 3s | 27.240557 | -.00005920 |
| ORB.ENERGY,a.u. | -.388920 | ||
| NORM | 1.000000 | < R > | 7.737975 | < R2 > | 66.993944 | < 1/R > | .181915 | < 1/R**2 > | .301709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.085729 | .87921779 |
| 2 | 2p | 5.077159 | .13238266 |
| 3 | 2p | 10.504530 | .00747572 |
| 4 | 3p | 4.148128 | -.00374102 |
| 5 | 4p | 2.773445 | .00888287 |
| 6 | 4p | 15.751154 | -.00071603 |
| ORB.ENERGY,a.u. | -4.006500 | ||
| NORM | 1.000000 | < R > | .766361 | < R2 > | .716612 | < 1/R > | 1.666545 | < 1/R**2 > | 3.810804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.002376 | .31298567 |
| 2 | 2s | 3.014065 | -.77137709 |
| 3 | 3s | 4.441252 | -.26810923 |
| 4 | 4s | 19.162880 | .00078861 |
| 5 | 5s | 9.164630 | -.02331659 |
| 6 | 4s | 1.263302 | .02503284 |
| 7 | 5s | 1.401132 | -.03211377 |
| 8 | 5s | 20.300142 | .00061070 |
| 9 | 3s | .620360 | .00951766 |
| 10 | 2s | 31.971325 | -.00001636 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .842712 | < R2 > | .835699 | < 1/R > | 1.713113 | < 1/R**2 > | 11.889762 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.587882 | .00447088 |
| 2 | 1s | 8.050454 | .84985599 |
| 3 | 1s | 12.638800 | .14390646 |
| 4 | 2s | 11.370586 | .01930203 |
| 5 | 3s | 9.352548 | -.01485496 |
| 6 | 4s | 16.474015 | .00384555 |
| 7 | 5s | .782251 | -.00081600 |
| 8 | 5s | 61.339835 | -.00002569 |
| 9 | 4s | .926368 | .00096868 |
| 10 | 3s | 1.069935 | -.00038412 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174836 | < R2 > | .041077 | < 1/R > | 8.657326 | < 1/R**2 > | 151.546328 |
Total Energy= -92.51825333 a.u.
Kinetic Energy= 92.51551687 a.u.
Potential Energy= -185.03377020 a.u.
Virial Ratio = -2.00002958