(1s 2 2s 2 2p 2 3s 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 3s- electron | |
| 1 | 1s | 12.584736 | .20013833 |
| 2 | 2s | 4.805973 | -1.04527718 |
| 3 | 3s | 3.761587 | 1.58194711 |
| 4 | 4s | 10.748378 | -.03467946 |
| 5 | 5s | 18.658599 | -.00555768 |
| 6 | 5s | 3.188180 | .00427924 |
| 7 | 4s | 65.755410 | -.00001940 |
| 8 | 4s | 2.477974 | -.00198953 |
| ORB.ENERGY,a.u. | -6.906000 | ||
| NORM | 1.000000 | < R > | 1.098478 | < R2 > | 1.369567 | < 1/R > | 1.314950 | < 1/R**2 > | 10.524553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.193488 | 1.17459754 |
| 2 | 3p | 7.084693 | -.20224112 |
| 3 | 2p | 15.054980 | .02226540 |
| 4 | 4p | 16.679327 | .00435205 |
| 5 | 5p | 35.295816 | -.00025996 |
| 6 | 5p | 4.537431 | .00061816 |
| ORB.ENERGY,a.u. | -17.520000 | ||
| NORM | 1.000000 | < R > | .379561 | < R2 > | .175001 | < 1/R > | 3.342593 | < 1/R**2 > | 15.179427 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.348514 | .43417586 |
| 2 | 2s | 7.096712 | -.88806383 |
| 3 | 3s | 6.710938 | -.29660875 |
| 4 | 4s | 27.522165 | .00201627 |
| 5 | 3s | 14.050650 | .02587097 |
| 6 | 5s | 5.181729 | -.01034006 |
| 7 | 4s | 3.197349 | -.00130178 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .435986 | < R2 > | .223373 | < 1/R > | 3.367413 | < 1/R**2 > | 46.079252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112295 | .92627182 |
| 2 | 1s | 22.954418 | .07298911 |
| 3 | 2s | 13.350981 | .01947798 |
| 4 | 3s | 17.099345 | -.01591085 |
| 5 | 5s | 37.479825 | .00074497 |
| 6 | 4s | 82.126423 | -.00005051 |
| 7 | 5s | 5.241319 | .00050278 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096556 | < R2 > | .012497 | < 1/R > | 15.626732 | < 1/R**2 > | 491.731680 |
Total Energy= -341.77964175 a.u.
Kinetic Energy= 341.81620979 a.u.
Potential Energy= -683.59585155 a.u.
Virial Ratio = -1.99989302