(1s 2 2s 2 2p 3 5p 1 ) 3 P Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2.630082 | .11118825 |
| 2 | 3p | .985059 | -1.25839484 |
| 3 | 4p | .750353 | 3.27812758 |
| 4 | 5p | .656917 | -2.77752007 |
| 5 | 2p | 5.886253 | .02077240 |
| 6 | 5p | 3.193631 | .02241739 |
| 7 | 3p | 10.694418 | -.00082639 |
| ORB.ENERGY,a.u. | -.214920 | ||
| NORM | 1.000004 | < R > | 10.184142 | < R2 > | 116.520236 | < 1/R > | .134705 | < 1/R**2 > | .056158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.872069 | .65512112 |
| 2 | 2p | 4.764762 | .35000793 |
| 3 | 2p | 11.554783 | .00851174 |
| 4 | 5p | 5.364656 | .02959878 |
| 5 | 5p | 1.044974 | .02292803 |
| 6 | 4p | 1.080521 | -.01303482 |
| 7 | 5p | .606411 | -.01434886 |
| 8 | 5p | 55.217912 | .00001753 |
| ORB.ENERGY,a.u. | -3.398900 | ||
| NORM | 1.000000 | < R > | .742571 | < R2 > | .689244 | < 1/R > | 1.746134 | < 1/R**2 > | 4.249489 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.241815 | .33468291 |
| 2 | 2s | 3.861858 | -.82467474 |
| 3 | 3s | 3.277366 | -.28590465 |
| 4 | 4s | 12.392137 | .01442547 |
| 5 | 3s | 14.673734 | .00480626 |
| 6 | 5s | 24.590204 | .00057431 |
| 7 | 5s | 5.323859 | -.01055838 |
| 8 | 4s | 6.595064 | -.00532082 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .797576 | < R2 > | .754042 | < 1/R > | 1.812541 | < 1/R**2 > | 13.438450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065087 | .86840989 |
| 2 | 1s | 13.151207 | .14092269 |
| 3 | 1s | 2.248234 | -.00321103 |
| 4 | 3s | 6.254560 | .00650997 |
| 5 | 4s | 19.356032 | .00304000 |
| 6 | 2s | 8.240359 | -.00836937 |
| 7 | 5s | 59.053876 | -.00001992 |
| 8 | 5s | 4.137421 | .00107284 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157278 | < R2 > | .033277 | < 1/R > | 9.630571 | < 1/R**2 > | 187.561534 |
Total Energy= -124.32219369 a.u.
Kinetic Energy= 124.31912018 a.u.
Potential Energy= -248.64131387 a.u.
Virial Ratio = -2.00002472