(1s 2 2s 1 2p 1 ) 3 P O 4+
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 | 2.856243 | .93913631 |
| 2 | 2p | 5.038738 | .09761543 |
| 3 | 3p | 7.449436 | -.02487008 |
| 4 | 4p | 2.529118 | .00346011 |
| 5 | 5p | 7.943771 | -.00350982 |
| 6 | 4p | 29.000739 | .00005284 |
| ORB.ENERGY,a.u. | -3.798400 | ||
| NORM | 1.000000 | < R > | .850028 | < R2 > | .875102 | < 1/R > | 1.490559 | < 1/R**2 > | 3.024976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.637212 | .35331150 |
| 2 | 2s | 3.087505 | -.85256187 |
| 3 | 3s | 3.544253 | -.24773375 |
| 4 | 4s | 9.349882 | .04991990 |
| 5 | 5s | 11.099528 | -.01570747 |
| 6 | 5s | 3.340401 | -.02443101 |
| 7 | 3s | 13.167392 | .00459846 |
| ORB.ENERGY,a.u. | -4.242600 | ||
| NORM | 1.000000 | < R > | .929554 | < R2 > | 1.010716 | < 1/R > | 1.550924 | < 1/R**2 > | 9.714319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.192736 | .88422735 |
| 2 | 1s | 11.332054 | .11998666 |
| 3 | 2s | 7.660585 | .01566352 |
| 4 | 3s | 9.830434 | -.01517504 |
| 5 | 4s | 15.342585 | .00461929 |
| 6 | 5s | 9.993450 | -.00384928 |
| 7 | 5s | 18.810860 | -.00031986 |
| 8 | 4s | 2.886201 | -.00013214 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197611 | < R2 > | .052482 | < 1/R > | 7.665109 | < 1/R**2 > | 118.928614 |
Total Energy= -67.87419538 a.u.
Kinetic Energy= 67.97578388 a.u.
Potential Energy= -135.84997926 a.u.
Virial Ratio = -1.99850552