(1s 2 2s 2 2p 2 3p 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 2p | 5.330130 | .72091804 |
| 2 | 3p | 3.519634 | -1.31053741 |
| 3 | 2p | 13.254850 | .02597077 |
| 4 | 4p | 8.445118 | -.06730267 |
| 5 | 5p | 20.376493 | .00222224 |
| 6 | 5p | 3.633440 | .02874315 |
| ORB.ENERGY,a.u. | -6.394300 | ||
| NORM | 1.000000 | < R > | 1.087654 | < R2 > | 1.355758 | < 1/R > | 1.257462 | < 1/R**2 > | 3.304975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.146244 | 1.25415723 |
| 2 | 3p | 6.993277 | -.26819134 |
| 3 | 2p | 17.490937 | .01145709 |
| 4 | 4p | 8.792056 | .00283085 |
| 5 | 5p | 13.781433 | -.00891468 |
| 6 | 5p | 4.176820 | .00174845 |
| 7 | 4p | 58.702789 | .00003554 |
| ORB.ENERGY,a.u. | -17.407000 | ||
| NORM | 1.000000 | < R > | .379373 | < R2 > | .174979 | < 1/R > | 3.346184 | < 1/R**2 > | 15.216906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.641280 | .41960760 |
| 2 | 2s | 6.946568 | -.86288650 |
| 3 | 3s | 7.060003 | -.28400845 |
| 4 | 4s | 26.911620 | .00204323 |
| 5 | 3s | 14.866979 | .01699029 |
| 6 | 5s | 6.764939 | -.02137950 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434902 | < R2 > | .221825 | < 1/R > | 3.372048 | < 1/R**2 > | 46.171625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.108633 | .92750553 |
| 2 | 1s | 23.194995 | .07127020 |
| 3 | 2s | 14.203837 | .01947960 |
| 4 | 3s | 17.845077 | -.01554325 |
| 5 | 5s | 37.510962 | .00081536 |
| 6 | 4s | 84.406736 | -.00004433 |
| 7 | 5s | 13.196457 | .00042971 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096593 | < R2 > | .012507 | < 1/R > | 15.622945 | < 1/R**2 > | 491.550820 |
Total Energy= -341.27073080 a.u.
Kinetic Energy= 341.31653811 a.u.
Potential Energy= -682.58726891 a.u.
Virial Ratio = -1.99986579