(1s 2 2s 2 2p 2 ) 1 S Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 3.252898 | .86576586 |
| 2 | 2p | 5.756555 | .16054173 |
| 3 | 2p | 11.734854 | .00595761 |
| 4 | 3p | 4.186745 | -.02674349 |
| 5 | 4p | 3.118307 | .02518758 |
| 6 | 4p | 18.579827 | -.00056420 |
| 7 | 3p | 6.592597 | .00604321 |
| ORB.ENERGY,a.u. | -4.269900 | ||
| NORM | 1.000000 | < R > | .716785 | < R2 > | .633479 | < 1/R > | 1.803351 | < 1/R**2 > | 4.518717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.013852 | .30539150 |
| 2 | 2s | 3.195182 | -.79093773 |
| 3 | 3s | 5.206868 | -.26242571 |
| 4 | 4s | 2.791428 | .01756371 |
| 5 | 5s | 10.753040 | -.01783823 |
| 6 | 4s | 20.065019 | .00103632 |
| 7 | 5s | 2.353069 | -.01837248 |
| 8 | 4s | 2.041977 | .01740084 |
| 9 | 2s | 15.303066 | .00035871 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .765555 | < R2 > | .690869 | < 1/R > | 1.890075 | < 1/R**2 > | 14.541614 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269177 | .89120238 |
| 2 | 1s | 13.742485 | .10387505 |
| 3 | 1s | 2.614179 | .00052384 |
| 4 | 2s | 7.231594 | .01678284 |
| 5 | 3s | 9.968756 | -.00783929 |
| 6 | 4s | 17.776672 | .00337587 |
| 7 | 5s | 8.982867 | -.00060737 |
| 8 | 5s | 29.612165 | .00034918 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156964 | < R2 > | .033111 | < 1/R > | 9.642387 | < 1/R**2 > | 187.912685 |
Total Energy= -120.53819089 a.u.
Kinetic Energy= 120.18057264 a.u.
Potential Energy= -240.71876353 a.u.
Virial Ratio = -2.00297567