(1s 2 2s 2 2p 2 5s 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 12.277364 | .08541164 |
| 2 | 2s | 4.122470 | -.68501552 |
| 3 | 3s | 2.715423 | 3.12527762 |
| 4 | 4s | 2.253746 | -6.57966113 |
| 5 | 5s | 2.121525 | 4.68524431 |
| 6 | 5s | 13.785720 | -.00134330 |
| 7 | 4s | 28.269291 | .00073866 |
| 8 | 5s | 90.710492 | .00000977 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000002 | < R > | 3.353365 | < R2 > | 12.584431 | < 1/R > | .430378 | < 1/R**2 > | 1.803232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.298329 | 1.12208500 |
| 2 | 3p | 7.298200 | -.14814931 |
| 3 | 2p | 15.243807 | .02269622 |
| 4 | 4p | 18.326668 | .00775130 |
| 5 | 5p | 26.519470 | -.00146505 |
| 6 | 5p | 1.449154 | -.00031421 |
| 7 | 4p | 70.916374 | .00003314 |
| 8 | 3p | .971313 | .00031574 |
| ORB.ENERGY,a.u. | -18.147000 | ||
| NORM | 1.000000 | < R > | .378301 | < R2 > | .173665 | < 1/R > | 3.351283 | < 1/R**2 > | 15.250823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.457874 | .43091737 |
| 2 | 2s | 7.072745 | -.87333528 |
| 3 | 3s | 7.310076 | -.27543576 |
| 4 | 4s | 27.099643 | .00265700 |
| 5 | 3s | 13.446954 | .02873555 |
| 6 | 5s | 7.647643 | -.04437743 |
| 7 | 4s | 2.243101 | -.02306780 |
| 8 | 3s | 1.450273 | .02713971 |
| 9 | 4s | 57.729094 | .00003863 |
| 10 | 5s | 1.564098 | -.00541261 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .432925 | < R2 > | .219749 | < 1/R > | 3.387927 | < 1/R**2 > | 46.572584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.110903 | .92682861 |
| 2 | 1s | 23.125543 | .07194670 |
| 3 | 2s | 14.117211 | .01949788 |
| 4 | 3s | 17.717046 | -.01559249 |
| 5 | 5s | 37.877844 | .00082411 |
| 6 | 4s | 85.015836 | -.00004144 |
| 7 | 5s | 11.698766 | .00048637 |
| 8 | 3s | 1.742921 | -.00350221 |
| 9 | 4s | 2.329418 | .00345099 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096563 | < R2 > | .012500 | < 1/R > | 15.626258 | < 1/R**2 > | 491.715500 |
Total Energy= -337.17920935 a.u.
Kinetic Energy= 337.16936724 a.u.
Potential Energy= -674.34857659 a.u.
Virial Ratio = -2.00002919