(1s 2 2s 2 2p 5 5p 1 ) 1 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | .130780 | 3.66103296 |
| 2 | 3p | .479655 | -1.48070392 |
| 3 | 4p | .591273 | .66178696 |
| 4 | 5p | .251326 | -4.64694742 |
| 5 | 2p | 4.147647 | .02084202 |
| 6 | 5p | 4.986792 | .00362989 |
| 7 | 4p | 1.662406 | -.04112137 |
| 8 | 4p | .119304 | -.34399962 |
| 9 | 2p | 12.071227 | .00021230 |
| 10 | 5p | .178285 | 1.92037057 |
| 11 | 3p | .077997 | .05191777 |
| ORB.ENERGY,a.u. | -.016929 | ||
| NORM | 1.000019 | < R > | 37.451765 | < R2 > | 1565.431709 | < 1/R > | .037319 | < 1/R**2 > | .006078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.269703 | .06582977 |
| 2 | 3p | 1.018075 | -.02508046 |
| 3 | 2p | 2.530192 | 1.39681029 |
| 4 | 3p | 3.129359 | -.52565704 |
| 5 | 2p | 7.189339 | .08375576 |
| 6 | 4p | 8.143247 | .02384840 |
| 7 | 4p | .187401 | .08233001 |
| 8 | 5p | .239264 | -.08137046 |
| 9 | 3p | 41.875374 | .00005899 |
| 10 | 3p | .827745 | .00880553 |
| 11 | 4p | 67.070142 | -.00002202 |
| ORB.ENERGY,a.u. | -1.355900 | ||
| NORM | 1.000000 | < R > | .877795 | < R2 > | 1.083512 | < 1/R > | 1.537135 | < 1/R**2 > | 3.420886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.503657 | .29680596 |
| 2 | 2s | 3.736255 | -.78279112 |
| 3 | 3s | 2.886390 | -.34417797 |
| 4 | 4s | 13.040818 | .01876110 |
| 5 | 3s | 21.707401 | .00432895 |
| 6 | 5s | 1.941591 | -.02221010 |
| 7 | 5s | 22.822716 | .00262700 |
| 8 | 4s | 1.604466 | .02662456 |
| 9 | 3s | 1.170625 | -.00564251 |
| 10 | 2s | 38.378716 | .00022573 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860367 | < R2 > | .890476 | < 1/R > | 1.685443 | < 1/R**2 > | 11.734085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241455 | .92193379 |
| 2 | 1s | 14.465655 | .08148759 |
| 3 | 2s | 5.552787 | .00857222 |
| 4 | 3s | 13.424645 | -.00703027 |
| 5 | 4s | 19.917995 | .00340811 |
| 6 | 5s | 31.533946 | -.00006440 |
| 7 | 5s | 3.659890 | .00023346 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620031 | < 1/R**2 > | 187.253228 |
Total Energy= -127.83590425 a.u.
Kinetic Energy= 127.84409759 a.u.
Potential Energy= -255.68000184 a.u.
Virial Ratio = -1.99993591