(1s 2 2s 2 2p 2 3d 1 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 1.328046 | .99360412 |
| 2 | 3d | 4.810991 | .01168380 |
| 3 | 4d | 3.758082 | .00539624 |
| 4 | 5d | 7.052003 | .00102828 |
| 5 | 4d | 26.627473 | .00000773 |
| ORB.ENERGY,a.u. | -.883950 | ||
| NORM | 1.000000 | < R > | 2.618855 | < R2 > | 7.863032 | < 1/R > | .448431 | < 1/R**2 > | .244674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.208036 | .78398019 |
| 2 | 2p | 5.330709 | .21295464 |
| 3 | 2p | 10.226027 | .01244086 |
| 4 | 3p | 4.631932 | .03309892 |
| 5 | 4p | 3.893961 | -.01331513 |
| 6 | 5p | 21.192588 | -.00095127 |
| 7 | 5p | 1.547307 | -.00034367 |
| 8 | 4p | 30.790199 | -.00018020 |
| ORB.ENERGY,a.u. | -4.033600 | ||
| NORM | 1.000000 | < R > | .698318 | < R2 > | .597422 | < 1/R > | 1.837358 | < 1/R**2 > | 4.654355 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.191806 | .35118412 |
| 2 | 2s | 3.942460 | -.83902856 |
| 3 | 3s | 3.663257 | -.27838570 |
| 4 | 4s | 11.716438 | .01528779 |
| 5 | 3s | 13.928580 | .00876931 |
| 6 | 5s | 3.523069 | -.01418412 |
| 7 | 5s | 35.635386 | -.00034246 |
| 8 | 4s | 52.629967 | -.00008773 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .768568 | < R2 > | .696941 | < 1/R > | 1.882982 | < 1/R**2 > | 14.441051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709577 | .61343136 |
| 2 | 1s | 13.272198 | .30146819 |
| 3 | 1s | 5.782769 | .00697529 |
| 4 | 2s | 10.367666 | .13443937 |
| 5 | 3s | 10.774180 | -.04339495 |
| 6 | 4s | 18.415435 | .00289950 |
| 7 | 5s | 61.066968 | -.00003963 |
| 8 | 5s | 5.775275 | .00027355 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156994 | < R2 > | .033127 | < 1/R > | 9.641232 | < 1/R**2 > | 187.878212 |
Total Energy= -121.46671428 a.u.
Kinetic Energy= 121.42753867 a.u.
Potential Energy= -242.89425294 a.u.
Virial Ratio = -2.00032263