(1s 1 2p 1 ) 3 P P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 7.069441 | .98746031 |
| 2 | 2p | 13.560862 | .00860219 |
| 3 | 2p | 14.747058 | .00458371 |
| 4 | 3p | 7.011723 | .00761252 |
| 5 | 4p | 8.297376 | -.00475111 |
| 6 | 5p | 28.249823 | -.00047199 |
| ORB.ENERGY,a.u. | -25.183000 | ||
| NORM | 1.000000 | < R > | .351610 | < R2 > | .148660 | < 1/R > | 3.565896 | < 1/R**2 > | 17.031634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.724281 | .92718659 |
| 2 | 1s | 18.871665 | .06781110 |
| 3 | 2s | 16.566179 | .01107955 |
| 4 | 3s | 18.523927 | -.00490500 |
| 5 | 5s | 13.521981 | .00063007 |
| 6 | 2s | 53.823808 | -.00000665 |
| ORB.ENERGY,a.u. | -109.560000 |
| NORM | 1.000000 | < R > | .100412 | < R2 > | .013464 | < 1/R > | 14.958272 | < 1/R**2 > | 448.010181 |
Total Energy= -137.19506614 a.u.
Kinetic Energy= 137.30845615 a.u.
Potential Energy= -274.50352228 a.u.
Virial Ratio = -1.99917420