(1s 2 2s 2 2p 3 5d 1 ) 5 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | .842239 | 1.14791960 |
| 2 | 4d | .662786 | -3.49585187 |
| 3 | 5d | .597989 | 3.11065962 |
| 4 | 3d | 3.043225 | .04135324 |
| 5 | 4d | .457831 | -.09718514 |
| 6 | 5d | 2.509587 | .02495465 |
| 7 | 4d | 3.997617 | -.00473367 |
| 8 | 5d | 34.634328 | .00000617 |
| ORB.ENERGY,a.u. | -.186780 | ||
| NORM | 1.000005 | < R > | 11.001645 | < R2 > | 137.888637 | < 1/R > | .129907 | < 1/R**2 > | .037862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.991249 | .76268324 |
| 2 | 2p | 4.922038 | .24922886 |
| 3 | 2p | 9.979794 | .01630564 |
| 4 | 3p | 1.626949 | -.00275161 |
| 5 | 4p | 2.487027 | .01248267 |
| 6 | 5p | 12.516307 | .00271526 |
| 7 | 5p | 3.890117 | -.00102702 |
| ORB.ENERGY,a.u. | -3.412500 | ||
| NORM | 1.000000 | < R > | .743367 | < R2 > | .683281 | < 1/R > | 1.744078 | < 1/R**2 > | 4.241825 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.245571 | .33452592 |
| 2 | 2s | 3.859885 | -.82453733 |
| 3 | 3s | 3.278076 | -.28632086 |
| 4 | 4s | 12.205213 | .01450216 |
| 5 | 3s | 14.555492 | .00502657 |
| 6 | 5s | 23.810298 | .00068739 |
| 7 | 5s | 5.393340 | -.01034812 |
| 8 | 4s | 7.154895 | -.00542871 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .797468 | < R2 > | .753864 | < 1/R > | 1.812881 | < 1/R**2 > | 13.443530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.071337 | .86633824 |
| 2 | 1s | 13.142386 | .14165834 |
| 3 | 1s | 2.096288 | -.00210862 |
| 4 | 2s | 7.960487 | -.00744804 |
| 5 | 3s | 6.344391 | .00602677 |
| 6 | 4s | 19.401994 | .00302555 |
| 7 | 5s | 57.494432 | -.00002108 |
| 8 | 5s | 3.987646 | .00081995 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157273 | < R2 > | .033274 | < 1/R > | 9.630792 | < 1/R**2 > | 187.568239 |
Total Energy= -124.28956242 a.u.
Kinetic Energy= 124.29099270 a.u.
Potential Energy= -248.58055513 a.u.
Virial Ratio = -1.99998849