(1s 2 2s 2 2p 2 3p 1 ) 2 S S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 2p | 5.423323 | .71883940 |
| 2 | 3p | 3.546882 | -1.31077746 |
| 3 | 2p | 13.542803 | .02332689 |
| 4 | 4p | 8.529045 | -.05800782 |
| 5 | 5p | 20.550337 | .00195728 |
| 6 | 5p | 3.690302 | .03315377 |
| ORB.ENERGY,a.u. | -6.485800 | ||
| NORM | 1.000000 | < R > | 1.076403 | < R2 > | 1.329240 | < 1/R > | 1.274874 | < 1/R**2 > | 3.397736 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.189000 | 1.12796379 |
| 2 | 3p | 7.003631 | -.16787039 |
| 3 | 2p | 13.911030 | .03372626 |
| 4 | 4p | 3.814596 | .00212493 |
| 5 | 4p | 15.350133 | .00806322 |
| 6 | 5p | 36.360996 | -.00020567 |
| ORB.ENERGY,a.u. | -17.498000 | ||
| NORM | 1.000000 | < R > | .379761 | < R2 > | .175265 | < 1/R > | 3.342226 | < 1/R**2 > | 15.181855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.641460 | .41956130 |
| 2 | 2s | 6.947281 | -.86249952 |
| 3 | 3s | 7.069766 | -.28384578 |
| 4 | 4s | 26.978633 | .00204881 |
| 5 | 3s | 14.817238 | .01716673 |
| 6 | 5s | 6.788303 | -.02224073 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434939 | < R2 > | .221866 | < 1/R > | 3.371754 | < 1/R**2 > | 46.164052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.108733 | .92729906 |
| 2 | 1s | 23.172709 | .07147664 |
| 3 | 2s | 14.154785 | .01948949 |
| 4 | 3s | 17.833921 | -.01555100 |
| 5 | 5s | 37.515845 | .00084470 |
| 6 | 4s | 86.000459 | -.00004180 |
| 7 | 5s | 13.027713 | .00039404 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096593 | < R2 > | .012507 | < 1/R > | 15.622944 | < 1/R**2 > | 491.550786 |
Total Energy= -341.26835358 a.u.
Kinetic Energy= 341.40807119 a.u.
Potential Energy= -682.67642477 a.u.
Virial Ratio = -1.99959076