(1s 2 2s 2 2p 2 ) 1 S F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2.757516 | .83954027 |
| 2 | 2p | 4.699425 | .20606317 |
| 3 | 2p | 10.397229 | .00671422 |
| 4 | 3p | 4.281309 | -.04108085 |
| 5 | 4p | 2.456618 | .03476583 |
| 6 | 4p | 16.563599 | -.00056963 |
| 7 | 5p | 2.259431 | -.00428559 |
| ORB.ENERGY,a.u. | -2.884000 | ||
| NORM | 1.000000 | < R > | .841491 | < R2 > | .877732 | < 1/R > | 1.545907 | < 1/R**2 > | 3.345429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.211376 | .28818072 |
| 2 | 2s | 2.733851 | -.78672271 |
| 3 | 3s | 4.630821 | -.26132878 |
| 4 | 4s | 2.441877 | .02136070 |
| 5 | 5s | 9.524552 | -.02051202 |
| 6 | 4s | 18.174872 | .00115194 |
| 7 | 5s | 2.124642 | -.02125695 |
| 8 | 4s | 1.850222 | .01970866 |
| 9 | 2s | 12.066751 | .00094197 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .878438 | < R2 > | .911937 | < 1/R > | 1.641248 | < 1/R**2 > | 10.965320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.036077 | .85360132 |
| 2 | 1s | 12.699042 | .14209210 |
| 3 | 1s | 3.383511 | .00301279 |
| 4 | 2s | 11.187945 | .02030149 |
| 5 | 3s | 9.932027 | -.01591982 |
| 6 | 4s | 16.406234 | .00422152 |
| 7 | 5s | 67.702620 | -.00001760 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .175188 | < R2 > | .041275 | < 1/R > | 8.646591 | < 1/R**2 > | 151.260082 |
Total Energy= -95.31409795 a.u.
Kinetic Energy= 95.01087895 a.u.
Potential Energy= -190.32497690 a.u.
Virial Ratio = -2.00319141