(1s 2 2s 1 2p 1 ) 1 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 3.738753 | .87738249 |
| 2 | 2p | 6.258908 | .14388024 |
| 3 | 3p | 9.492366 | -.01338629 |
| 4 | 4p | 3.555516 | .00924467 |
| 5 | 5p | 12.961855 | .00400555 |
| 6 | 4p | 3.139039 | -.00159189 |
| ORB.ENERGY,a.u. | -6.571900 | ||
| NORM | 1.000000 | < R > | .633366 | < R2 > | .488376 | < 1/R > | 2.009118 | < 1/R**2 > | 5.503782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.140146 | .38471233 |
| 2 | 2s | 4.073245 | -.86001162 |
| 3 | 3s | 3.999953 | -.26130486 |
| 4 | 4s | 16.101915 | .00887915 |
| 5 | 5s | 7.043733 | -.02139974 |
| 6 | 5s | 13.580396 | .00985997 |
| 7 | 4s | 4.308006 | .01117113 |
| 8 | 3s | 16.785225 | .00297030 |
| ORB.ENERGY,a.u. | -7.164700 | ||
| NORM | 1.000000 | < R > | .724384 | < R2 > | .615026 | < 1/R > | 2.019734 | < 1/R**2 > | 16.742836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.134224 | .88468443 |
| 2 | 1s | 13.765872 | .11800413 |
| 3 | 2s | 7.003751 | .02110980 |
| 4 | 3s | 9.829607 | -.02097329 |
| 5 | 4s | 17.798801 | .00284718 |
| 6 | 5s | 5.555653 | .00242813 |
| 7 | 5s | 49.801012 | -.00007634 |
| 8 | 3s | 47.266611 | -.00005449 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .157076 | < R2 > | .033212 | < 1/R > | 9.642315 | < 1/R**2 > | 187.952499 |
Total Energy= -109.58527604 a.u.
Kinetic Energy= 109.20118466 a.u.
Potential Energy= -218.78646069 a.u.
Virial Ratio = -2.00351728