(1s 2 2s 1 2p 1 ) 3 P P 11+
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 | 6.370594 | .90185228 |
| 2 | 2p | 8.595576 | .07080646 |
| 3 | 2p | 17.232048 | .00849194 |
| 4 | 3p | 6.458389 | .03183249 |
| 5 | 4p | 6.851604 | -.00376637 |
| 6 | 5p | 63.821971 | .00003839 |
| 7 | 3p | 67.192132 | .00001470 |
| ORB.ENERGY,a.u. | -19.724000 | ||
| NORM | 1.000000 | < R > | .386478 | < R2 > | .180063 | < 1/R > | 3.256050 | < 1/R**2 > | 14.280227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.452486 | .40741941 |
| 2 | 2s | 6.263567 | -.80281978 |
| 3 | 3s | 7.665056 | -.29521645 |
| 4 | 5s | 13.679733 | -.02075386 |
| 5 | 4s | 27.970231 | .00338474 |
| 6 | 5s | 39.433170 | -.00063912 |
| ORB.ENERGY,a.u. | -20.711000 | ||
| NORM | 1.000000 | < R > | .445004 | < R2 > | .231170 | < 1/R > | 3.304976 | < 1/R**2 > | 44.081062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.413871 | .93625743 |
| 2 | 1s | 22.556038 | .05099333 |
| 3 | 2s | 16.850262 | .01638847 |
| 4 | 3s | 16.143976 | .00123142 |
| 5 | 4s | 58.275478 | -.00049082 |
| 6 | 5s | 76.785878 | .00018338 |
| 7 | 5s | 16.500801 | .00179936 |
| 8 | 4s | 7.631340 | -.00011750 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102880 | < R2 > | .014173 | < 1/R > | 14.656902 | < 1/R**2 > | 432.432734 |
Total Energy= -257.63614846 a.u.
Kinetic Energy= 257.84230561 a.u.
Potential Energy= -515.47845407 a.u.
Virial Ratio = -1.99920045