(1s 2 2s 2 2p 2 4s 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 12.570425 | .12268933 |
| 2 | 2s | 3.498244 | -1.42263192 |
| 3 | 3s | 3.121637 | 3.63485140 |
| 4 | 4s | 2.728947 | -2.68242494 |
| 5 | 5s | 4.312262 | -.23799034 |
| 6 | 4s | 12.574034 | -.01681229 |
| 7 | 5s | 35.444026 | .00023806 |
| 8 | 5s | 1.995258 | -.00306794 |
| ORB.ENERGY,a.u. | -3.651300 | ||
| NORM | .999999 | < R > | 2.067124 | < R2 > | 4.799969 | < 1/R > | .700167 | < 1/R**2 > | 3.960719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.297913 | 1.14358247 |
| 2 | 3p | 7.372024 | -.16579043 |
| 3 | 2p | 15.482843 | .01939715 |
| 4 | 4p | 18.043509 | .00500975 |
| 5 | 5p | 28.936018 | -.00073765 |
| 6 | 5p | 3.637091 | -.00029083 |
| 7 | 4p | 86.628828 | .00001210 |
| ORB.ENERGY,a.u. | -17.949000 | ||
| NORM | 1.000000 | < R > | .378544 | < R2 > | .173916 | < 1/R > | 3.349567 | < 1/R**2 > | 15.236424 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.354915 | .43554050 |
| 2 | 2s | 7.088318 | -.89260598 |
| 3 | 3s | 6.714015 | -.29551731 |
| 4 | 4s | 27.409435 | .00207041 |
| 5 | 3s | 14.094479 | .02524667 |
| 6 | 5s | 4.854375 | -.00481154 |
| 7 | 4s | 2.560034 | .00531515 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433635 | < R2 > | .220407 | < 1/R > | 3.381913 | < 1/R**2 > | 46.419188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.109117 | .92536535 |
| 2 | 1s | 22.909055 | .07385508 |
| 3 | 2s | 13.309117 | .01968698 |
| 4 | 3s | 17.066970 | -.01607789 |
| 5 | 5s | 37.372402 | .00076465 |
| 6 | 4s | 82.617861 | -.00004920 |
| 7 | 5s | 6.289874 | .00031679 |
| 8 | 3s | 1.790683 | -.00031383 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096558 | < R2 > | .012497 | < 1/R > | 15.626766 | < 1/R**2 > | 491.738394 |
Total Energy= -338.56089440 a.u.
Kinetic Energy= 338.57252752 a.u.
Potential Energy= -677.13342193 a.u.
Virial Ratio = -1.99996564