(1s 2 2s 2 2p 2 3p 1 ) 4 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 4.343076 | .69897657 |
| 2 | 3p | 3.222037 | -1.38482057 |
| 3 | 2p | 11.929398 | .02644924 |
| 4 | 4p | 7.535300 | -.04372900 |
| 5 | 5p | 18.915344 | .00200406 |
| 6 | 5p | 4.719329 | .01078801 |
| 7 | 4p | 27.752172 | .00007946 |
| ORB.ENERGY,a.u. | -5.157000 | ||
| NORM | 1.000000 | < R > | 1.241407 | < R2 > | 1.732123 | < 1/R > | 1.020229 | < 1/R**2 > | 1.960167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.851747 | 1.35811601 |
| 2 | 3p | 7.650257 | -.39793591 |
| 3 | 2p | 2.349483 | -.10917166 |
| 4 | 4p | 9.733979 | .09065179 |
| 5 | 5p | 19.032361 | .00391521 |
| 6 | 3p | 2.227625 | .02224650 |
| 7 | 3p | 21.954442 | -.00014383 |
| 8 | 4p | 1.551970 | -.00053081 |
| ORB.ENERGY,a.u. | -14.470000 | ||
| NORM | 1.000000 | < R > | .399495 | < R2 > | .192073 | < 1/R > | 3.148386 | < 1/R**2 > | 13.386452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.956715 | .40865961 |
| 2 | 2s | 6.414567 | -.85494416 |
| 3 | 3s | 6.561364 | -.28074566 |
| 4 | 4s | 24.983778 | .00218343 |
| 5 | 3s | 14.251087 | .01576303 |
| 6 | 5s | 6.270515 | -.02323074 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468793 | < R2 > | .257861 | < 1/R > | 3.123356 | < 1/R**2 > | 39.634466 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.106647 | .92233254 |
| 2 | 1s | 21.645608 | .07661921 |
| 3 | 2s | 13.491113 | .01934432 |
| 4 | 3s | 16.746897 | -.01552663 |
| 5 | 5s | 35.431322 | .00088261 |
| 6 | 4s | 80.571923 | -.00004265 |
| 7 | 5s | 12.664237 | .00062741 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103222 | < R2 > | .014288 | < 1/R > | 14.624970 | < 1/R**2 > | 430.940669 |
Total Energy= -296.87940315 a.u.
Kinetic Energy= 296.84831931 a.u.
Potential Energy= -593.72772247 a.u.
Virial Ratio = -2.00010471