(1s 2 2s 2 2p 3 4s 1 ) 5 S Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 9.191738 | .05598107 |
| 2 | 2s | 1.522904 | -.78230818 |
| 3 | 3s | 1.481156 | 1.90301076 |
| 4 | 4s | .950059 | -1.43123412 |
| 5 | 5s | 2.116668 | -.29103646 |
| 6 | 4s | 6.805748 | -.05638983 |
| 7 | 5s | 13.131091 | -.01053035 |
| 8 | 4s | 18.856455 | -.00322772 |
| 9 | 5s | 49.203603 | -.00012746 |
| 10 | 4s | 74.536857 | -.00002557 |
| ORB.ENERGY,a.u. | -.425990 | ||
| NORM | .999999 | < R > | 5.325321 | < R2 > | 31.897896 | < 1/R > | .262080 | < 1/R**2 > | .552949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.005901 | .72794317 |
| 2 | 2p | 4.848063 | .25360738 |
| 3 | 2p | 9.539107 | .02048618 |
| 4 | 3p | 4.220902 | .01658908 |
| 5 | 4p | 2.873926 | .02108324 |
| 6 | 5p | 12.258648 | .00373784 |
| 7 | 5p | 1.309633 | -.00051194 |
| ORB.ENERGY,a.u. | -3.306900 | ||
| NORM | 1.000000 | < R > | .744026 | < R2 > | .684661 | < 1/R > | 1.742869 | < 1/R**2 > | 4.236506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.237989 | .33446716 |
| 2 | 2s | 3.842271 | -.83378622 |
| 3 | 3s | 3.299137 | -.28903403 |
| 4 | 4s | 11.163624 | .00699545 |
| 5 | 3s | 11.615515 | .01384845 |
| 6 | 5s | 1.052242 | .00907064 |
| 7 | 4s | 2.016433 | -.00631525 |
| 8 | 5s | 32.988374 | -.00005250 |
| 9 | 3s | 25.110913 | -.00031510 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .799352 | < R2 > | .759407 | < 1/R > | 1.809854 | < 1/R**2 > | 13.404896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.067642 | .86418761 |
| 2 | 1s | 13.091746 | .14389600 |
| 3 | 1s | .349893 | -.00052498 |
| 4 | 3s | 6.538068 | .00424034 |
| 5 | 4s | 19.325227 | .00324948 |
| 6 | 2s | 8.497984 | -.00790236 |
| 7 | 5s | 62.760434 | -.00001222 |
| 8 | 5s | 2.713517 | .00050242 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157269 | < R2 > | .033277 | < 1/R > | 9.630904 | < 1/R**2 > | 187.570822 |
Total Energy= -124.52445762 a.u.
Kinetic Energy= 124.52992690 a.u.
Potential Energy= -249.05438452 a.u.
Virial Ratio = -1.99995608