(1s 2 2s 2 2p 5 5d 1 ) 3 F Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 5d- electron | |
| 1 | 3d | .203911 | 3.31780633 |
| 2 | 4d | .201512 | -8.46300857 |
| 3 | 5d | .201285 | 5.74655314 |
| 4 | 4d | .704231 | .00643456 |
| 5 | 3d | 1.434267 | .00675527 |
| 6 | 5d | 2.182747 | -.00249271 |
| 7 | 5d | .180930 | .09459409 |
| 8 | 3d | 3.853613 | .00052462 |
| ORB.ENERGY,a.u. | -.020088 | ||
| NORM | .999974 | < R > | 34.315715 | < R2 > | 1336.535102 | < 1/R > | .040430 | < 1/R**2 > | .003343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.667548 | .16345596 |
| 2 | 2p | 2.561857 | .58311799 |
| 3 | 2p | 4.482450 | .30298132 |
| 4 | 2p | 10.166752 | .01946779 |
| 5 | 4p | 2.243853 | .03515776 |
| 6 | 4p | 10.280331 | .01383583 |
| 7 | 3p | 1.729117 | -.04382465 |
| 8 | 3p | 13.751060 | .00254248 |
| ORB.ENERGY,a.u. | -1.382700 | ||
| NORM | 1.000000 | < R > | .875903 | < R2 > | .982093 | < 1/R > | 1.536872 | < 1/R**2 > | 3.420129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.478475 | .29815968 |
| 2 | 2s | 3.737052 | -.78296586 |
| 3 | 3s | 2.887527 | -.34390117 |
| 4 | 4s | 13.064065 | .01795226 |
| 5 | 3s | 21.723386 | .00387906 |
| 6 | 5s | 1.920307 | -.02087234 |
| 7 | 5s | 22.940477 | .00240908 |
| 8 | 4s | 1.577979 | .02541610 |
| 9 | 3s | 1.161758 | -.00600816 |
| 10 | 2s | 39.238329 | .00018180 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860283 | < R2 > | .890292 | < 1/R > | 1.685610 | < 1/R**2 > | 11.736297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.243222 | .92165678 |
| 2 | 1s | 14.455216 | .08158271 |
| 3 | 2s | 5.577170 | .00867323 |
| 4 | 3s | 13.471340 | -.00700811 |
| 5 | 4s | 19.909015 | .00352837 |
| 6 | 5s | 29.477695 | -.00009111 |
| 7 | 5s | 3.697223 | .00024099 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620054 | < 1/R**2 > | 187.253885 |
Total Energy= -127.83812547 a.u.
Kinetic Energy= 127.83791482 a.u.
Potential Energy= -255.67604029 a.u.
Virial Ratio = -2.00000165