(1s 2 2s 1 3p 1 ) 1 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 5.186656 | 1.04760980 |
| 2 | 3p | 4.364952 | -1.64790707 |
| 3 | 2p | 13.102390 | .02649326 |
| 4 | 4p | 16.727169 | .00671198 |
| 5 | 3p | 39.297073 | .00006549 |
| 6 | 5p | 3.870224 | .00201309 |
| ORB.ENERGY,a.u. | -9.715400 | ||
| NORM | 1.000000 | < R > | .929536 | < R2 > | .995129 | < 1/R > | 1.498596 | < 1/R**2 > | 4.606791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.911572 | .43678178 |
| 2 | 2s | 7.101823 | -.80707028 |
| 3 | 3s | 8.025404 | -.30990905 |
| 4 | 5s | 13.588818 | -.02968238 |
| 5 | 4s | 29.349462 | .00551020 |
| 6 | 5s | 39.212880 | -.00141609 |
| 7 | 4s | 4.583217 | .00055724 |
| 8 | 3s | 70.712714 | .00004103 |
| ORB.ENERGY,a.u. | -24.680000 | ||
| NORM | 1.000000 | < R > | .408188 | < R2 > | .194226 | < 1/R > | 3.615296 | < 1/R**2 > | 52.673295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.403096 | .93920330 |
| 2 | 1s | 24.363346 | .04838464 |
| 3 | 2s | 18.690080 | .01665142 |
| 4 | 3s | 9.762359 | .00111681 |
| 5 | 4s | 61.782057 | -.00047868 |
| 6 | 5s | 81.290720 | .00017746 |
| 7 | 5s | 18.653469 | .00071670 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096189 | < R2 > | .012384 | < 1/R > | 15.667344 | < 1/R**2 > | 493.776881 |
Total Energy= -281.74635181 a.u.
Kinetic Energy= 281.69501747 a.u.
Potential Energy= -563.44136928 a.u.
Virial Ratio = -2.00018223