(1s 1 2s 1 ) 1 S P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 5.136107 | .58741754 |
| 2 | 2s | 6.448302 | -1.10604696 |
| 3 | 3s | 9.206241 | -.46699684 |
| 4 | 4s | 11.101995 | .04426652 |
| 5 | 5s | 19.076580 | -.00672713 |
| 6 | 5s | 4.149122 | -.00382821 |
| 7 | 3s | 48.192964 | -.00005300 |
| 8 | 4s | 3.597676 | .00381794 |
| ORB.ENERGY,a.u. | -25.698000 | ||
| NORM | 1.000000 | < R > | .417484 | < R2 > | .199164 | < 1/R > | 2.833252 | < 1/R**2 > | 13.426465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.245893 | 1.02207467 |
| 2 | 2s | 17.193691 | .02111415 |
| 3 | 3s | 8.483286 | -.22431011 |
| 4 | 4s | 31.022236 | .00077150 |
| 5 | 5s | 11.431713 | .02353668 |
| 6 | 4s | 6.930032 | -.00795438 |
| 7 | 3s | 47.751304 | .00006380 |
| ORB.ENERGY,a.u. | -110.070000 |
| NORM | 1.000000 | < R > | .098624 | < R2 > | .015894 | < 1/R > | 15.722847 | < 1/R**2 > | 487.055264 |
Total Energy= -137.83078507 a.u.
Kinetic Energy= 137.77060123 a.u.
Potential Energy= -275.60138631 a.u.
Virial Ratio = -2.00043684