(1s 2 2s 2 2p 5 4p 1 ) 3 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 7.571781 | .18075400 |
| 2 | 3p | 1.501710 | 2.08909351 |
| 3 | 4p | 2.951897 | -1.44686876 |
| 4 | 5p | 5.352962 | -.16524235 |
| 5 | 3p | 13.916360 | -.00515404 |
| 6 | 5p | 1.507572 | -.34853904 |
| 7 | 4p | 20.102944 | .00071806 |
| 8 | 3p | .919915 | .13968803 |
| 9 | 4p | .866331 | -.03042672 |
| 10 | 3p | 39.347728 | .00003297 |
| ORB.ENERGY,a.u. | -1.829900 | ||
| NORM | 1.000000 | < R > | 2.747386 | < R2 > | 8.535950 | < 1/R > | .511525 | < 1/R**2 > | .770911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.365473 | 1.20624412 |
| 2 | 3p | 6.329997 | -.27872733 |
| 3 | 2p | 12.121979 | .07150207 |
| 4 | 5p | 38.089397 | -.00013256 |
| 5 | 4p | 14.551612 | .01081793 |
| 6 | 5p | 3.189896 | .00036938 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .420199 | < R2 > | .217495 | < 1/R > | 3.069871 | < 1/R**2 > | 13.045976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.859563 | .38293442 |
| 2 | 2s | 6.659056 | -.83941029 |
| 3 | 3s | 5.942308 | -.30452024 |
| 4 | 4s | 17.576498 | .00436688 |
| 5 | 3s | 18.627536 | .00704857 |
| 6 | 5s | 33.670925 | .00062189 |
| 7 | 5s | 4.861571 | -.00311957 |
| 8 | 4s | 3.326744 | .00123663 |
| 9 | 3s | 53.687576 | -.00004576 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462913 | < R2 > | .252964 | < 1/R > | 3.157812 | < 1/R**2 > | 40.891976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177868 | .92275641 |
| 2 | 1s | 22.251735 | .07350830 |
| 3 | 2s | 9.352067 | .02084271 |
| 4 | 3s | 11.606795 | -.02141799 |
| 5 | 4s | 14.416965 | .01070276 |
| 6 | 5s | 38.351639 | .00073793 |
| 7 | 4s | 86.673987 | -.00003671 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097019 | < R2 > | .012644 | < 1/R > | 15.579754 | < 1/R**2 > | 489.453904 |
Total Energy= -379.11986854 a.u.
Kinetic Energy= 379.11316333 a.u.
Potential Energy= -758.23303187 a.u.
Virial Ratio = -2.00001769