(1s 2 2s 2 2p 2 4p 1 ) 2 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 6.910575 | .22663524 |
| 2 | 3p | 2.137381 | -.56321371 |
| 3 | 5p | 2.560122 | 1.51865792 |
| 4 | 4p | 3.750915 | -.67361572 |
| 5 | 5p | 8.452087 | .04060997 |
| 6 | 4p | 19.624269 | -.00228607 |
| 7 | 5p | 2.197220 | .13664043 |
| 8 | 5p | 43.547420 | -.00028695 |
| 9 | 4p | 67.383796 | -.00005457 |
| ORB.ENERGY,a.u. | -2.759900 | ||
| NORM | 1.000000 | < R > | 2.347850 | < R2 > | 6.224188 | < 1/R > | .583823 | < 1/R**2 > | .881892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.056142 | 1.22357823 |
| 2 | 3p | 7.809571 | -.26198481 |
| 3 | 4p | 9.287065 | .03972627 |
| 4 | 5p | 2.888969 | .07643425 |
| 5 | 4p | 2.650681 | -.13455920 |
| 6 | 3p | 2.090434 | .07312326 |
| 7 | 5p | 35.796111 | -.00019075 |
| 8 | 3p | 15.960658 | -.00606773 |
| ORB.ENERGY,a.u. | -14.961000 | ||
| NORM | 1.000000 | < R > | .407877 | < R2 > | .203490 | < 1/R > | 3.111926 | < 1/R**2 > | 13.153332 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.906391 | .41232686 |
| 2 | 2s | 6.464461 | -.85432182 |
| 3 | 3s | 6.657144 | -.28030640 |
| 4 | 4s | 25.433996 | .00218299 |
| 5 | 3s | 13.741253 | .01909471 |
| 6 | 5s | 6.693289 | -.03140745 |
| 7 | 4s | 1.883749 | .00013893 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467518 | < R2 > | .256308 | < 1/R > | 3.131670 | < 1/R**2 > | 39.826327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.108794 | .92172253 |
| 2 | 1s | 21.591313 | .07719351 |
| 3 | 2s | 13.428721 | .01934173 |
| 4 | 3s | 16.740298 | -.01553428 |
| 5 | 5s | 35.642852 | .00099043 |
| 6 | 4s | 86.750981 | -.00003202 |
| 7 | 5s | 11.759051 | .00050713 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103199 | < R2 > | .014280 | < 1/R > | 14.627116 | < 1/R**2 > | 431.039867 |
Total Energy= -294.49597979 a.u.
Kinetic Energy= 294.45333819 a.u.
Potential Energy= -588.94931799 a.u.
Virial Ratio = -2.00014482