(1s 2 2s 2 2p 1 3p 1 ) 1 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 1.886401 | -1.23371271 |
| 2 | 2p | 2.869813 | .55089141 |
| 3 | 2p | 6.798130 | .06031714 |
| 4 | 4p | 8.295236 | .01732399 |
| 5 | 5p | 4.698146 | -.02794207 |
| 6 | 3p | 26.085716 | .00001697 |
| ORB.ENERGY,a.u. | -1.721700 | ||
| NORM | 1.000000 | < R > | 2.030737 | < R2 > | 4.707178 | < 1/R > | .660943 | < 1/R**2 > | .913052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.585275 | .86912629 |
| 2 | 2p | 5.533017 | .13960409 |
| 3 | 2p | 11.322112 | .00867353 |
| 4 | 3p | 4.403860 | -.00820943 |
| 5 | 4p | 3.590756 | .01218125 |
| 6 | 4p | 18.216279 | -.00064924 |
| ORB.ENERGY,a.u. | -5.267400 | ||
| NORM | 1.000000 | < R > | .661249 | < R2 > | .532428 | < 1/R > | 1.926015 | < 1/R**2 > | 5.069679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.835931 | .32506417 |
| 2 | 2s | 3.407087 | -.80061538 |
| 3 | 3s | 5.087652 | -.28103669 |
| 4 | 4s | 17.433406 | .00342245 |
| 5 | 5s | 9.561285 | -.01493499 |
| 6 | 5s | 7.322733 | .01434547 |
| 7 | 4s | 35.402834 | .00008715 |
| 8 | 4s | 3.929441 | .01928197 |
| 9 | 3s | 1.228853 | -.00019518 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .742808 | < R2 > | .648489 | < 1/R > | 1.951199 | < 1/R**2 > | 15.440539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.974521 | .00249341 |
| 2 | 1s | 9.269177 | .89042433 |
| 3 | 1s | 13.721247 | .10422782 |
| 4 | 2s | 7.364622 | .01393281 |
| 5 | 3s | 10.255126 | -.00769799 |
| 6 | 4s | 18.165185 | .00394192 |
| 7 | 5s | 9.497296 | -.00089621 |
| 8 | 5s | 32.274190 | .00018597 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156696 | < R2 > | .032969 | < 1/R > | 9.652509 | < 1/R**2 > | 188.213692 |
Total Energy= -117.57943037 a.u.
Kinetic Energy= 117.63215507 a.u.
Potential Energy= -235.21158543 a.u.
Virial Ratio = -1.99955178