(1s 1 2p 1 ) 1 P P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 6.854864 | .92852244 |
| 2 | 2p | 7.741410 | .07031382 |
| 3 | 2p | 25.534036 | .00146448 |
| 4 | 3p | 10.488654 | .00855854 |
| 5 | 4p | 7.094521 | -.00957320 |
| 6 | 5p | 40.039874 | -.00015132 |
| ORB.ENERGY,a.u. | -24.747000 | ||
| NORM | 1.000000 | < R > | .359167 | < R2 > | .154738 | < 1/R > | 3.479471 | < 1/R**2 > | 16.150157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.768818 | .88941253 |
| 2 | 1s | 17.395238 | .10551476 |
| 3 | 2s | 17.628148 | .00887127 |
| 4 | 3s | 12.452894 | -.00606568 |
| 5 | 4s | 13.796251 | .00115765 |
| 6 | 5s | 16.790971 | .00145936 |
| ORB.ENERGY,a.u. | -109.120000 |
| NORM | 1.000000 | < R > | .099903 | < R2 > | .013303 | < 1/R > | 15.010662 | < 1/R**2 > | 450.530538 |
Total Energy= -137.18612266 a.u.
Kinetic Energy= 136.87358817 a.u.
Potential Energy= -274.05971083 a.u.
Virial Ratio = -2.00228338