(1s 2 2s 1 5s 1 ) 3 S O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 6.211771 | .08213047 |
| 2 | 2s | 1.054899 | -3.31624904 |
| 3 | 3s | 1.418703 | 5.25093547 |
| 4 | 4s | 1.139682 | -5.02425349 |
| 5 | 5s | 1.036353 | 3.93556762 |
| 6 | 5s | 5.926001 | -.01601293 |
| 7 | 4s | 12.192011 | .00250460 |
| 8 | 2s | 22.691307 | -.00006449 |
| 9 | 4s | .626786 | -.02788363 |
| 10 | 3s | .329482 | .00297139 |
| ORB.ENERGY,a.u. | -.555120 | ||
| NORM | 1.000003 | < R > | 6.772976 | < R2 > | 51.315528 | < 1/R > | .213033 | < 1/R**2 > | .438035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.604515 | .37381099 |
| 2 | 2s | 3.165547 | -.86390542 |
| 3 | 3s | 3.714341 | -.24828176 |
| 4 | 4s | 9.269951 | .02668695 |
| 5 | 3s | 11.059988 | .00995343 |
| 6 | 5s | 6.238201 | -.00873871 |
| 7 | 4s | 2.948845 | -.00515653 |
| 8 | 5s | 18.316794 | .00093877 |
| 9 | 2s | 61.083344 | .00000320 |
| ORB.ENERGY,a.u. | -4.873200 | ||
| NORM | 1.000000 | < R > | .894297 | < R2 > | .932966 | < 1/R > | 1.621680 | < 1/R**2 > | 10.621040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.225288 | .87885230 |
| 2 | 1s | 11.173103 | .12305241 |
| 3 | 2s | 6.151518 | .02510226 |
| 4 | 3s | 7.599059 | -.02665166 |
| 5 | 4s | 14.714455 | .00350702 |
| 6 | 5s | 10.907909 | .00104296 |
| 7 | 3s | 24.215015 | -.00019262 |
| 8 | 5s | 4.137201 | .00029604 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197159 | < R2 > | .052208 | < 1/R > | 7.677056 | < 1/R**2 > | 119.218982 |
Total Energy= -64.73024735 a.u.
Kinetic Energy= 64.73295477 a.u.
Potential Energy= -129.46320212 a.u.
Virial Ratio = -1.99995818