(1s 2 2s 2 2p 3 3s 1 ) 3 S F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 8.723116 | .05550975 |
| 2 | 2s | 2.214680 | -.28026218 |
| 3 | 3s | 1.086955 | 1.04691976 |
| 4 | 4s | 5.997877 | -.03673619 |
| 5 | 5s | 1.011959 | .05768187 |
| 6 | 5s | 10.373447 | -.00876495 |
| 7 | 4s | 21.644989 | .00148416 |
| 8 | 3s | 29.316016 | .00073354 |
| 9 | 4s | .777483 | -.00709076 |
| 10 | 2s | 39.121407 | .00014267 |
| ORB.ENERGY,a.u. | -.442770 | ||
| NORM | 1.000000 | < R > | 3.490358 | < R2 > | 13.756347 | < 1/R > | .357500 | < 1/R**2 > | .570391 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.507470 | .74744995 |
| 2 | 2p | 4.229670 | .26030608 |
| 3 | 2p | 8.664183 | .01930989 |
| 4 | 3p | 1.269075 | -.00127220 |
| 5 | 4p | 2.185701 | .01953907 |
| 6 | 5p | 11.023059 | .00363575 |
| 7 | 5p | 1.685691 | -.00073711 |
| ORB.ENERGY,a.u. | -1.885700 | ||
| NORM | 1.000000 | < R > | .881059 | < R2 > | .965890 | < 1/R > | 1.482732 | < 1/R**2 > | 3.093428 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.500198 | .31602424 |
| 2 | 2s | 3.307495 | -.84797215 |
| 3 | 3s | 2.742264 | -.27341072 |
| 4 | 4s | 11.020621 | .01309358 |
| 5 | 3s | 12.337078 | .00748052 |
| 6 | 5s | 2.158909 | .00664056 |
| 7 | 4s | 1.157796 | .01449199 |
| 8 | 5s | 36.241487 | -.00004762 |
| 9 | 3s | 25.952587 | -.00014693 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .914056 | < R2 > | .991366 | < 1/R > | 1.573823 | < 1/R**2 > | 10.118103 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.101305 | .85261322 |
| 2 | 1s | 11.769302 | .15376367 |
| 3 | 2s | 7.368863 | -.00579765 |
| 4 | 3s | 5.625869 | .00428204 |
| 5 | 4s | 17.262278 | .00385849 |
| 6 | 5s | 1.498196 | -.00072503 |
| 7 | 5s | 70.014163 | -.00000614 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175532 | < R2 > | .041486 | < 1/R > | 8.636390 | < 1/R**2 > | 150.989223 |
Total Energy= -98.06394972 a.u.
Kinetic Energy= 98.05145229 a.u.
Potential Energy= -196.11540201 a.u.
Virial Ratio = -2.00012746