(1s 2 2s 2 2p 3 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 2.987277 | .77271418 |
| 2 | 2p | 5.214611 | .23341779 |
| 3 | 2p | 10.305762 | .01074552 |
| 4 | 3p | 2.078894 | .03888534 |
| 5 | 4p | 1.771620 | -.01520853 |
| 6 | 5p | 20.792086 | -.00068487 |
| 7 | 5p | 1.726839 | .00494841 |
| 8 | 4p | 57.278077 | .00001128 |
| 9 | 3p | 19.684527 | -.00032916 |
| ORB.ENERGY,a.u. | -3.219500 | ||
| NORM | 1.000000 | < R > | .755907 | < R2 > | .709624 | < 1/R > | 1.723987 | < 1/R**2 > | 4.166856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.218080 | .33696681 |
| 2 | 2s | 3.865349 | -.83535506 |
| 3 | 3s | 3.295971 | -.28905827 |
| 4 | 4s | 13.619442 | .00366509 |
| 5 | 3s | 10.192960 | .01748303 |
| 6 | 5s | 5.406113 | -.00428219 |
| 7 | 5s | 26.087759 | .00032880 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .795826 | < R2 > | .750608 | < 1/R > | 1.816843 | < 1/R**2 > | 13.499748 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.760168 | .00644818 |
| 2 | 1s | 8.693739 | .61346330 |
| 3 | 1s | 13.283645 | .30107247 |
| 4 | 2s | 10.363674 | .13469009 |
| 5 | 3s | 10.997896 | -.04297396 |
| 6 | 4s | 18.739242 | .00356016 |
| 7 | 5s | 6.563885 | .00093775 |
| 8 | 2s | 71.588196 | .00000359 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157248 | < R2 > | .033261 | < 1/R > | 9.631728 | < 1/R**2 > | 187.596040 |
Total Energy= -124.10055224 a.u.
Kinetic Energy= 123.76330736 a.u.
Potential Energy= -247.86385960 a.u.
Virial Ratio = -2.00272492