(1s 2 2s 2 2p 4 ) 1 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 5.551012 | 1.38347844 |
| 2 | 3p | 7.199127 | -.46865980 |
| 3 | 4p | 8.641474 | .07452280 |
| 4 | 5p | 5.431660 | .01799042 |
| 5 | 5p | 34.077530 | -.00020484 |
| 6 | 3p | 17.135441 | -.00370015 |
| ORB.ENERGY,a.u. | -10.719000 | ||
| NORM | 1.000000 | < R > | .443845 | < R2 > | .242150 | < 1/R > | 2.899825 | < 1/R**2 > | 11.614031 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.903795 | .39339401 |
| 2 | 2s | 6.169952 | -.92237515 |
| 3 | 3s | 5.555998 | -.24536222 |
| 4 | 4s | 11.030397 | .01446244 |
| 5 | 3s | 15.054999 | .02020899 |
| 6 | 5s | 32.296891 | .00040852 |
| 7 | 2s | 61.403076 | .00001995 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .488997 | < R2 > | .281755 | < 1/R > | 2.987298 | < 1/R**2 > | 36.494505 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.156639 | .93164880 |
| 2 | 1s | 21.913308 | .06694553 |
| 3 | 2s | 12.189583 | .01868187 |
| 4 | 3s | 17.891481 | -.01506577 |
| 5 | 4s | 27.628232 | .00287776 |
| 6 | 5s | 52.691138 | .00008183 |
| 7 | 5s | 10.221586 | .00071543 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103528 | < R2 > | .014393 | < 1/R > | 14.597790 | < 1/R**2 > | 429.705600 |
Total Energy= -316.68523922 a.u.
Kinetic Energy= 316.10566007 a.u.
Potential Energy= -632.79089929 a.u.
Virial Ratio = -2.00183350