(1s 2 2s 2 2p 5 3s 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 9.495726 | .04241284 |
| 2 | 2s | 2.813754 | -.16390094 |
| 3 | 3s | .974787 | .74487983 |
| 4 | 4s | 6.791623 | -.02625189 |
| 5 | 5s | .905475 | .24898724 |
| 6 | 4s | .637341 | .09469941 |
| 7 | 5s | 11.611552 | -.00360464 |
| 8 | 4s | 11.717825 | -.00142441 |
| 9 | 2s | 13.104457 | .00173881 |
| ORB.ENERGY,a.u. | -.174670 | ||
| NORM | 1.000000 | < R > | 4.390450 | < R2 > | 22.466822 | < 1/R > | .291135 | < 1/R**2 > | .395677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.730740 | .12965248 |
| 2 | 2p | 2.571957 | .58509559 |
| 3 | 2p | 4.471248 | .29782427 |
| 4 | 2p | 10.536094 | .01848073 |
| 5 | 4p | 2.338046 | .02745168 |
| 6 | 4p | 10.141348 | .01624531 |
| 7 | 3p | 4.223875 | .00288006 |
| 8 | 3p | 12.868653 | .00445395 |
| 9 | 5p | 1.153893 | .00087547 |
| ORB.ENERGY,a.u. | -1.145000 | ||
| NORM | 1.000000 | < R > | .879093 | < R2 > | .991766 | < 1/R > | 1.533778 | < 1/R**2 > | 3.409613 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.333314 | .30588278 |
| 2 | 2s | 3.743421 | -.78193203 |
| 3 | 3s | 2.899245 | -.34344021 |
| 4 | 4s | 13.359566 | .01307334 |
| 5 | 3s | 20.946601 | .00367425 |
| 6 | 5s | 2.038053 | -.00542705 |
| 7 | 5s | 35.364684 | -.00025651 |
| 8 | 4s | .802355 | -.00240285 |
| 9 | 3s | 26.100309 | -.00136885 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .861297 | < R2 > | .893716 | < 1/R > | 1.684772 | < 1/R**2 > | 11.728715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241903 | .92192412 |
| 2 | 1s | 14.463606 | .08148148 |
| 3 | 2s | 5.540155 | .00853169 |
| 4 | 3s | 13.438196 | -.00697796 |
| 5 | 4s | 19.913313 | .00341596 |
| 6 | 5s | 31.233807 | -.00006391 |
| 7 | 5s | 3.310387 | .00025455 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157567 | < R2 > | .033433 | < 1/R > | 9.620177 | < 1/R**2 > | 187.257141 |
Total Energy= -127.99053307 a.u.
Kinetic Energy= 127.99231423 a.u.
Potential Energy= -255.98284730 a.u.
Virial Ratio = -1.99998608