(1s 2 2s 2 2p 1 3s 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 5.485986 | .05906541 |
| 2 | 2s | 1.524693 | -.24660881 |
| 3 | 3s | .652426 | .95036434 |
| 4 | 4s | 4.782651 | -.03257937 |
| 5 | 5s | 3.787206 | -.02709778 |
| 6 | 5s | .614632 | .12801626 |
| 7 | 2s | 24.130242 | .00001283 |
| ORB.ENERGY,a.u. | -.130190 | ||
| NORM | 1.000000 | < R > | 5.904313 | < R2 > | 39.891899 | < 1/R > | .218735 | < 1/R**2 > | .239625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.466033 | .69989431 |
| 2 | 2p | 2.330783 | .38810266 |
| 3 | 2p | 6.673827 | .00939343 |
| 4 | 3p | 2.848667 | -.06967690 |
| 5 | 4p | 1.099858 | .01777024 |
| 6 | 4p | 10.101193 | -.00063509 |
| ORB.ENERGY,a.u. | -.653270 | ||
| NORM | 1.000000 | < R > | 1.487487 | < R2 > | 2.757879 | < 1/R > | .879237 | < 1/R**2 > | 1.091016 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.551954 | .24156391 |
| 2 | 2s | 1.597819 | -.75107826 |
| 3 | 3s | 2.813209 | -.26236808 |
| 4 | 4s | 11.532651 | .00215873 |
| 5 | 5s | 5.879026 | -.02970277 |
| 6 | 5s | .984760 | -.01776431 |
| 7 | 4s | .530856 | -.03531734 |
| 8 | 2s | 30.645181 | -.00000688 |
| 9 | 3s | .468533 | .04322092 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.482479 | < R2 > | 2.624126 | < 1/R > | .958400 | < 1/R**2 > | 3.698812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.214601 | .71543621 |
| 2 | 1s | 8.194517 | .22662583 |
| 3 | 1s | 2.335268 | .00316761 |
| 4 | 2s | 6.460940 | .08071377 |
| 5 | 3s | 6.898233 | -.01389837 |
| 6 | 4s | 10.880619 | .00605446 |
| 7 | 5s | 1.011809 | .00021229 |
| 8 | 3s | 24.724007 | -.00006821 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268099 | < R2 > | .096877 | < 1/R > | 5.668494 | < 1/R**2 > | 65.302165 |
Total Energy= -37.42054308 a.u.
Kinetic Energy= 37.42238178 a.u.
Potential Energy= -74.84292486 a.u.
Virial Ratio = -1.99995087