(1s 2 2s 2 2p 4 4p 1 ) 2 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 3.088726 | .11895748 |
| 2 | 3p | .665470 | -1.65956229 |
| 3 | 4p | .669011 | 2.05401916 |
| 4 | 5p | 1.755548 | -.08983455 |
| 5 | 2p | 7.551883 | .00885759 |
| 6 | 5p | 6.057722 | -.01068165 |
| 7 | 5p | .594922 | .25258878 |
| 8 | 3p | 15.401195 | -.00007956 |
| ORB.ENERGY,a.u. | -.174060 | ||
| NORM | .999995 | < R > | 8.204556 | < R2 > | 76.182863 | < 1/R > | .163949 | < 1/R**2 > | .074908 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.283464 | -.01896620 |
| 2 | 2p | 2.644670 | .68129628 |
| 3 | 2p | 4.508719 | .36771276 |
| 4 | 2p | 11.012186 | .01112403 |
| 5 | 3p | 1.911756 | .03932823 |
| 6 | 4p | 6.570152 | -.02823513 |
| 7 | 4p | .581850 | .00264511 |
| 8 | 5p | 23.405673 | -.00016829 |
| ORB.ENERGY,a.u. | -2.075000 | ||
| NORM | 1.000000 | < R > | .804543 | < R2 > | .812539 | < 1/R > | 1.638526 | < 1/R**2 > | 3.809780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.314484 | .31800549 |
| 2 | 2s | 3.745684 | -.82147164 |
| 3 | 3s | 3.028572 | -.30576651 |
| 4 | 4s | 13.075679 | .01370517 |
| 5 | 3s | 16.946321 | .00262846 |
| 6 | 5s | 25.696308 | .00052584 |
| 7 | 5s | 2.011461 | -.01041231 |
| 8 | 3s | 1.555789 | .01496363 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828669 | < R2 > | .819449 | < 1/R > | 1.745851 | < 1/R**2 > | 12.526951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241868 | .89834605 |
| 2 | 1s | 13.943635 | .09842142 |
| 3 | 1s | 14.238785 | .00056469 |
| 4 | 2s | 6.913493 | .01560076 |
| 5 | 3s | 10.795116 | -.00728644 |
| 6 | 4s | 18.613376 | .00284516 |
| 7 | 5s | 61.093836 | -.00003544 |
| 8 | 5s | 5.257417 | .00053025 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157459 | < R2 > | .033374 | < 1/R > | 9.624000 | < 1/R**2 > | 187.368439 |
Total Energy= -126.54697606 a.u.
Kinetic Energy= 126.54617332 a.u.
Potential Energy= -253.09314938 a.u.
Virial Ratio = -2.00000634