(1s 2 2s 2 2p 4 ) 3 P S 8+
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 | 6.031001 | 1.36641665 |
| 2 | 3p | 7.853122 | -.44358438 |
| 3 | 4p | 9.818121 | .07154985 |
| 4 | 5p | 4.682129 | .01023917 |
| 5 | 4p | 26.527836 | -.00168156 |
| 6 | 3p | 33.888487 | -.00026806 |
| 7 | 5p | 3.970434 | -.00638727 |
| 8 | 3p | 2.543441 | .00199363 |
| ORB.ENERGY,a.u. | -13.867000 | ||
| NORM | 1.000000 | < R > | .404530 | < R2 > | .200378 | < 1/R > | 3.167214 | < 1/R**2 > | 13.784584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.677256 | .40075111 |
| 2 | 2s | 6.623639 | -.92220080 |
| 3 | 3s | 6.028214 | -.22477447 |
| 4 | 4s | 26.943575 | .00189645 |
| 5 | 3s | 14.882568 | .01571089 |
| 6 | 5s | 8.983075 | -.00798431 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .452277 | < R2 > | .240772 | < 1/R > | 3.234604 | < 1/R**2 > | 42.751522 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.156012 | .93655250 |
| 2 | 1s | 23.565702 | .06178087 |
| 3 | 2s | 13.112771 | .01889728 |
| 4 | 3s | 19.168041 | -.01507161 |
| 5 | 4s | 29.409605 | .00266403 |
| 6 | 5s | 54.704515 | .00008752 |
| 7 | 5s | 11.068236 | .00066410 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593504 | < 1/R**2 > | 490.120356 |
Total Energy= -365.26187712 a.u.
Kinetic Energy= 365.26186332 a.u.
Potential Energy= -730.52374044 a.u.
Virial Ratio = -2.00000004