(1s 2 2s 2 2p 5 5d 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | .201676 | 3.42353378 |
| 2 | 4d | .201322 | -8.56403398 |
| 3 | 5d | .200676 | 5.82522277 |
| 4 | 4d | .719289 | .00405964 |
| 5 | 3d | .400142 | .00565498 |
| 6 | 5d | 5.671260 | .00029092 |
| 7 | 3d | 2.976966 | -.00034613 |
| 8 | 4d | 10.012711 | .00004950 |
| ORB.ENERGY,a.u. | -.020080 | ||
| NORM | 1.000026 | < R > | 34.355888 | < R2 > | 1338.643456 | < 1/R > | .040185 | < 1/R**2 > | .003237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.722882 | .13408943 |
| 2 | 2p | 2.546794 | .59119844 |
| 3 | 2p | 4.493241 | .30710885 |
| 4 | 2p | 10.229709 | .01861410 |
| 5 | 4p | 2.207031 | .02811967 |
| 6 | 4p | 10.446402 | .01276145 |
| 7 | 3p | 1.621642 | -.01618731 |
| 8 | 3p | 14.223903 | .00216765 |
| ORB.ENERGY,a.u. | -1.382700 | ||
| NORM | 1.000000 | < R > | .875883 | < R2 > | .982023 | < 1/R > | 1.536885 | < 1/R**2 > | 3.420165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.504746 | .29677879 |
| 2 | 2s | 3.736150 | -.78297212 |
| 3 | 3s | 2.886609 | -.34393052 |
| 4 | 4s | 13.035913 | .01879727 |
| 5 | 3s | 21.698204 | .00435794 |
| 6 | 5s | 1.937910 | -.02195456 |
| 7 | 5s | 22.799061 | .00264588 |
| 8 | 4s | 1.600713 | .02642759 |
| 9 | 3s | 1.172246 | -.00573871 |
| 10 | 2s | 38.357415 | .00022779 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860283 | < R2 > | .890292 | < 1/R > | 1.685608 | < 1/R**2 > | 11.736264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241459 | .92192390 |
| 2 | 1s | 14.465454 | .08149516 |
| 3 | 2s | 5.554497 | .00857345 |
| 4 | 3s | 13.419180 | -.00702844 |
| 5 | 4s | 19.913401 | .00340435 |
| 6 | 5s | 31.607709 | -.00006345 |
| 7 | 5s | 3.662224 | .00023450 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620053 | < 1/R**2 > | 187.253873 |
Total Energy= -127.83812029 a.u.
Kinetic Energy= 127.83790884 a.u.
Potential Energy= -255.67602913 a.u.
Virial Ratio = -2.00000165