(1s 2 2s 2 2p 4 4p 1 ) 2 P P 6+
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 | 6.991762 | .16577162 |
| 2 | 3p | 1.525544 | 2.29190875 |
| 3 | 4p | 2.783857 | -1.72785803 |
| 4 | 5p | 4.972789 | -.17884257 |
| 5 | 3p | 10.738600 | -.01073756 |
| 6 | 5p | 1.449214 | -.19906165 |
| 7 | 4p | 14.700364 | .00178260 |
| 8 | 4p | .925506 | .05614833 |
| 9 | 5p | 86.426070 | .00000292 |
| 10 | 5p | .902579 | -.01909255 |
| ORB.ENERGY,a.u. | -1.759000 | ||
| NORM | 1.000001 | < R > | 2.864325 | < R2 > | 9.263409 | < 1/R > | .475380 | < 1/R**2 > | .593737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.356827 | 1.25052583 |
| 2 | 3p | 6.626509 | -.27668441 |
| 3 | 2p | 15.926225 | .01757633 |
| 4 | 4p | 16.715760 | .01198102 |
| 5 | 5p | 2.094813 | .02089690 |
| 6 | 4p | 2.385922 | -.01161513 |
| 7 | 3p | 22.448365 | .00232697 |
| ORB.ENERGY,a.u. | -10.762000 | ||
| NORM | 1.000000 | < R > | .440145 | < R2 > | .238520 | < 1/R > | 2.917266 | < 1/R**2 > | 11.720292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.063105 | .38492755 |
| 2 | 2s | 6.250782 | -.84555966 |
| 3 | 3s | 5.703707 | -.29754004 |
| 4 | 4s | 16.771744 | .00775426 |
| 5 | 3s | 19.051343 | .00710009 |
| 6 | 5s | 31.487082 | .00056289 |
| 7 | 5s | 4.899002 | -.00519301 |
| 8 | 4s | 3.515495 | .00188085 |
| 9 | 2s | 64.314964 | .00001758 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489848 | < R2 > | .282800 | < 1/R > | 2.981922 | < 1/R**2 > | 36.372701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.209997 | .92310372 |
| 2 | 1s | 20.955389 | .07337918 |
| 3 | 2s | 8.816577 | .02033449 |
| 4 | 3s | 10.766732 | -.02033374 |
| 5 | 4s | 13.269500 | .00951497 |
| 6 | 5s | 36.042572 | .00080181 |
| 7 | 4s | 81.598853 | -.00003745 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014398 | < 1/R > | 14.596251 | < 1/R**2 > | 429.635102 |
Total Energy= -318.48424354 a.u.
Kinetic Energy= 318.44606486 a.u.
Potential Energy= -636.93030840 a.u.
Virial Ratio = -2.00011989