(1s 2 2s 2 2p 1 4s 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 8.065857 | .09619779 |
| 2 | 2s | 3.186740 | -.40720633 |
| 3 | 3s | 1.991819 | 1.18639728 |
| 4 | 4s | 1.393132 | -1.86751363 |
| 5 | 5s | 4.746356 | -.09985144 |
| 6 | 5s | 2.164050 | .56992104 |
| 7 | 4s | 6.755970 | -.05349174 |
| 8 | 5s | 23.893346 | .00033376 |
| 9 | 5s | .872524 | .00082078 |
| ORB.ENERGY,a.u. | -.976790 | ||
| NORM | 1.000000 | < R > | 3.864030 | < R2 > | 16.764327 | < 1/R > | .367228 | < 1/R**2 > | 1.063811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.595813 | .78075673 |
| 2 | 2p | 4.965515 | .22114610 |
| 3 | 2p | 11.654123 | .00748514 |
| 4 | 3p | 5.751710 | -.02561296 |
| 5 | 4p | 4.152284 | .03223389 |
| 6 | 4p | 17.579466 | -.00063905 |
| 7 | 5p | 2.373204 | -.00674908 |
| 8 | 3p | 2.030333 | .01343029 |
| ORB.ENERGY,a.u. | -5.463100 | ||
| NORM | 1.000000 | < R > | .663483 | < R2 > | .536100 | < 1/R > | 1.919939 | < 1/R**2 > | 5.039355 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.895026 | .32333812 |
| 2 | 2s | 3.361920 | -.79137488 |
| 3 | 3s | 5.214418 | -.27218538 |
| 4 | 4s | 18.785422 | .00184788 |
| 5 | 5s | 10.391727 | -.01709012 |
| 6 | 5s | 4.001797 | .02172427 |
| 7 | 4s | 42.578220 | .00001778 |
| 8 | 4s | 1.209819 | .00316433 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739364 | < R2 > | .641902 | < 1/R > | 1.960233 | < 1/R**2 > | 15.573827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.270264 | .89220075 |
| 2 | 1s | 13.749628 | .10387462 |
| 3 | 1s | .681762 | .00028521 |
| 4 | 2s | 7.787214 | .01467538 |
| 5 | 3s | 9.917419 | -.00779697 |
| 6 | 4s | 18.048842 | .00340335 |
| 7 | 5s | 1.475516 | -.00033779 |
| 8 | 5s | 29.501741 | .00030711 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156631 | < R2 > | .032938 | < 1/R > | 9.655105 | < 1/R**2 > | 188.291741 |
Total Energy= -116.88407989 a.u.
Kinetic Energy= 116.88695879 a.u.
Potential Energy= -233.77103869 a.u.
Virial Ratio = -1.99997537