(1s 2 2s 2 2p 2 5p 1 ) 4 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 4.011407 | .35715753 |
| 2 | 3p | 2.177020 | -3.32275695 |
| 3 | 4p | 1.960278 | 7.57479355 |
| 4 | 5p | 1.884870 | -5.20612727 |
| 5 | 2p | 9.232988 | .03446859 |
| 6 | 5p | 25.651615 | -.00066474 |
| 7 | 5p | 1.423249 | -.01534897 |
| 8 | 4p | 36.870449 | -.00020597 |
| ORB.ENERGY,a.u. | -1.748300 | ||
| NORM | 1.000006 | < R > | 3.760881 | < R2 > | 15.905589 | < 1/R > | .375185 | < 1/R**2 > | .452012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.043676 | 1.22662851 |
| 2 | 3p | 8.004937 | -.27331439 |
| 3 | 4p | 10.163673 | .04629184 |
| 4 | 5p | 2.357543 | .09464891 |
| 5 | 4p | 1.761680 | -.09224439 |
| 6 | 5p | 28.667031 | -.00126970 |
| 7 | 4p | 36.332172 | -.00057307 |
| 8 | 3p | 1.214625 | -.00307716 |
| 9 | 3p | 48.045348 | -.00005559 |
| ORB.ENERGY,a.u. | -15.220000 | ||
| NORM | 1.000000 | < R > | .409263 | < R2 > | .206454 | < 1/R > | 3.105349 | < 1/R**2 > | 13.107862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924009 | .41174695 |
| 2 | 2s | 6.452240 | -.85463749 |
| 3 | 3s | 6.631898 | -.28047398 |
| 4 | 4s | 25.088675 | .00209862 |
| 5 | 3s | 14.120764 | .01736052 |
| 6 | 5s | 6.672231 | -.02740362 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467148 | < R2 > | .255871 | < 1/R > | 3.134201 | < 1/R**2 > | 39.885409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.109483 | .92171750 |
| 2 | 1s | 21.590308 | .07719102 |
| 3 | 2s | 13.449012 | .01933131 |
| 4 | 3s | 16.735800 | -.01553539 |
| 5 | 5s | 35.627064 | .00099062 |
| 6 | 4s | 86.764052 | -.00003301 |
| 7 | 5s | 11.656079 | .00051347 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103192 | < R2 > | .014278 | < 1/R > | 14.627842 | < 1/R**2 > | 431.073635 |
Total Energy= -293.44812333 a.u.
Kinetic Energy= 293.44261275 a.u.
Potential Energy= -586.89073608 a.u.
Virial Ratio = -2.00001878