(1s 2 2s 2 2p 2 3p 1 ) 2 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3p- electron | |
| 1 | 3p | 1.610254 | -1.13975332 |
| 2 | 2p | 2.834460 | .43238371 |
| 3 | 2p | 6.584188 | .06088858 |
| 4 | 4p | 7.952112 | .01627057 |
| 5 | 5p | 4.571103 | -.02370483 |
| 6 | 5p | 1.275909 | -.00169005 |
| 7 | 3p | 38.084207 | .00001363 |
| ORB.ENERGY,a.u. | -1.204400 | ||
| NORM | 1.000000 | < R > | 2.317869 | < R2 > | 6.141804 | < 1/R > | .578135 | < 1/R**2 > | .716735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.239189 | .80888666 |
| 2 | 2p | 5.253641 | .20659193 |
| 3 | 2p | 10.612179 | .01095952 |
| 4 | 3p | 2.210337 | .01330741 |
| 5 | 4p | 3.619333 | -.00884911 |
| 6 | 5p | 21.692781 | -.00066364 |
| 7 | 4p | 30.981542 | -.00011617 |
| 8 | 5p | 1.457322 | .00052632 |
| ORB.ENERGY,a.u. | -4.115900 | ||
| NORM | 1.000000 | < R > | .703857 | < R2 > | .608631 | < 1/R > | 1.826905 | < 1/R**2 > | 4.609657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.198458 | .34982553 |
| 2 | 2s | 3.932597 | -.83877381 |
| 3 | 3s | 3.647571 | -.27854367 |
| 4 | 4s | 11.583162 | .01459773 |
| 5 | 3s | 13.550754 | .00941869 |
| 6 | 5s | 3.394914 | -.01408412 |
| 7 | 5s | 35.824255 | -.00031557 |
| 8 | 4s | 52.889601 | -.00008123 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .770538 | < R2 > | .700820 | < 1/R > | 1.878087 | < 1/R**2 > | 14.370705 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.707658 | .61328665 |
| 2 | 1s | 13.272979 | .30144952 |
| 3 | 1s | 5.818015 | .00717495 |
| 4 | 2s | 10.364563 | .13445178 |
| 5 | 3s | 10.786688 | -.04337565 |
| 6 | 4s | 18.417262 | .00289141 |
| 7 | 5s | 61.232821 | -.00003931 |
| 8 | 5s | 6.278057 | .00026666 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157037 | < R2 > | .033148 | < 1/R > | 9.639507 | < 1/R**2 > | 187.825787 |
Total Energy= -121.69184680 a.u.
Kinetic Energy= 121.74777733 a.u.
Potential Energy= -243.43962413 a.u.
Virial Ratio = -1.99954060