(1s 2 2s 2 2p 4 3p 1 ) 2 S Ne +
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 | .960635 | -.96627745 |
| 2 | 2p | 2.281263 | .20281627 |
| 3 | 2p | 6.053354 | .04410760 |
| 4 | 4p | 7.485859 | .01025114 |
| 5 | 5p | .944422 | -.08732060 |
| 6 | 5p | 3.941502 | -.02927742 |
| 7 | 3p | 19.532117 | -.00002121 |
| ORB.ENERGY,a.u. | -.349500 | ||
| NORM | 1.000000 | < R > | 3.889042 | < R2 > | 17.267311 | < 1/R > | .321788 | < 1/R**2 > | .209057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | .972313 | -.02687559 |
| 2 | 2p | 2.644644 | .68230512 |
| 3 | 2p | 4.511345 | .36690840 |
| 4 | 2p | 11.035064 | .01102979 |
| 5 | 3p | 1.842675 | .03939654 |
| 6 | 4p | 6.582998 | -.02834251 |
| 7 | 4p | 1.251038 | .00893550 |
| 8 | 5p | 23.265733 | -.00016971 |
| ORB.ENERGY,a.u. | -1.886300 | ||
| NORM | 1.000000 | < R > | .804507 | < R2 > | .812024 | < 1/R > | 1.638404 | < 1/R**2 > | 3.809088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.316735 | .31757259 |
| 2 | 2s | 3.736897 | -.82381396 |
| 3 | 3s | 3.021411 | -.30187400 |
| 4 | 4s | 12.905825 | .01246450 |
| 5 | 3s | 15.005069 | .00380274 |
| 6 | 5s | 26.756039 | .00032919 |
| 7 | 5s | 1.993649 | -.00876595 |
| 8 | 3s | 1.569268 | .01199070 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .829554 | < R2 > | .821478 | < 1/R > | 1.744177 | < 1/R**2 > | 12.504892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.237644 | .89618426 |
| 2 | 1s | 13.931919 | .09951696 |
| 3 | 1s | 10.672061 | .00163697 |
| 4 | 2s | 6.936610 | .01550464 |
| 5 | 3s | 10.847356 | -.00723557 |
| 6 | 4s | 18.658805 | .00287655 |
| 7 | 5s | 60.910122 | -.00003385 |
| 8 | 5s | 5.401696 | .00056328 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157466 | < R2 > | .033377 | < 1/R > | 9.623726 | < 1/R**2 > | 187.360232 |
Total Energy= -126.73087808 a.u.
Kinetic Energy= 126.72158826 a.u.
Potential Energy= -253.45246635 a.u.
Virial Ratio = -2.00007331