(1s 2 2s 2 2p 1 ) 2 P Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 3.602455 | .89742876 |
| 2 | 2p | 6.261623 | .12997200 |
| 3 | 3p | 9.494821 | -.01513136 |
| 4 | 4p | 2.949871 | .01025726 |
| 5 | 4p | 18.469409 | -.00055363 |
| 6 | 5p | 2.881167 | -.00300826 |
| ORB.ENERGY,a.u. | -5.801000 | ||
| NORM | 1.000000 | < R > | .662007 | < R2 > | .533465 | < 1/R > | 1.923393 | < 1/R**2 > | 5.055669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.117379 | .37138961 |
| 2 | 2s | 4.039553 | -.85617309 |
| 3 | 3s | 4.063124 | -.25535001 |
| 4 | 4s | 11.702787 | .01653279 |
| 5 | 3s | 13.079724 | .00911066 |
| 6 | 5s | 6.126076 | -.00554984 |
| 7 | 5s | 23.516789 | .00077154 |
| 8 | 5s | 4.065352 | -.02148698 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738237 | < R2 > | .639665 | < 1/R > | 1.962907 | < 1/R**2 > | 15.611587 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.271078 | .89209493 |
| 2 | 1s | 13.718011 | .10424499 |
| 3 | 2s | 7.552561 | .01438702 |
| 4 | 3s | 9.736504 | -.00798526 |
| 5 | 4s | 17.699695 | .00368045 |
| 6 | 5s | 30.650337 | .00033381 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156627 | < R2 > | .032935 | < 1/R > | 9.655323 | < 1/R**2 > | 188.299466 |
Total Energy= -115.91085173 a.u.
Kinetic Energy= 115.91085240 a.u.
Potential Energy= -231.82170413 a.u.
Virial Ratio = -1.99999999