(1s 2 2s 2 2p 2 3p 1 ) 4 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 3p | 1.591540 | -1.14110397 |
| 2 | 2p | 2.759847 | .43445750 |
| 3 | 2p | 6.593967 | .06125134 |
| 4 | 4p | 8.111221 | .01587392 |
| 5 | 5p | 4.603569 | -.03235825 |
| 6 | 5p | 1.456433 | -.00382219 |
| ORB.ENERGY,a.u. | -1.181900 | ||
| NORM | 1.000000 | < R > | 2.350897 | < R2 > | 6.311164 | < 1/R > | .567287 | < 1/R**2 > | .688062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.269086 | .79771397 |
| 2 | 2p | 5.175568 | .20683329 |
| 3 | 2p | 10.124120 | .01349333 |
| 4 | 3p | 1.977630 | .01891489 |
| 5 | 4p | 1.737009 | -.00645013 |
| 6 | 5p | 21.406409 | -.00089032 |
| 7 | 5p | 1.663825 | .00269139 |
| 8 | 4p | 31.089797 | -.00016584 |
| ORB.ENERGY,a.u. | -4.093400 | ||
| NORM | 1.000000 | < R > | .702943 | < R2 > | .607209 | < 1/R > | 1.829287 | < 1/R**2 > | 4.620818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.199128 | .34982675 |
| 2 | 2s | 3.931598 | -.83899975 |
| 3 | 3s | 3.646744 | -.27842974 |
| 4 | 4s | 11.626425 | .01465574 |
| 5 | 3s | 13.605490 | .00921825 |
| 6 | 5s | 3.384645 | -.01367330 |
| 7 | 5s | 36.183428 | -.00030402 |
| 8 | 4s | 53.500444 | -.00007711 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .770427 | < R2 > | .700588 | < 1/R > | 1.878329 | < 1/R**2 > | 14.374102 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.706582 | .61319173 |
| 2 | 1s | 13.271531 | .30148200 |
| 3 | 1s | 6.016930 | .00724033 |
| 4 | 2s | 10.358634 | .13444264 |
| 5 | 3s | 10.788006 | -.04339339 |
| 6 | 4s | 18.475027 | .00284368 |
| 7 | 5s | 60.475030 | -.00004087 |
| 8 | 5s | 6.560761 | .00034539 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157037 | < R2 > | .033148 | < 1/R > | 9.639503 | < 1/R**2 > | 187.825668 |
Total Energy= -121.69353031 a.u.
Kinetic Energy= 121.72526909 a.u.
Potential Energy= -243.41879940 a.u.
Virial Ratio = -1.99973926