(1s 2 2s 2 2p 3 ) 4 S P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 5.631856 | 1.19676346 |
| 2 | 3p | 6.837142 | -.21781502 |
| 3 | 2p | 14.942875 | .01794618 |
| 4 | 4p | 18.189870 | .00624691 |
| 5 | 5p | 25.776789 | -.00154676 |
| 6 | 5p | 4.705486 | .00116534 |
| 7 | 4p | 68.695943 | .00003120 |
| ORB.ENERGY,a.u. | -13.705000 | ||
| NORM | 1.000000 | < R > | .422834 | < R2 > | .217994 | < 1/R > | 3.015393 | < 1/R**2 > | 12.429639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.024766 | .39687857 |
| 2 | 2s | 6.327641 | -.84719855 |
| 3 | 3s | 6.254959 | -.28170163 |
| 4 | 4s | 24.847394 | .00211707 |
| 5 | 3s | 14.575798 | .01320727 |
| 6 | 5s | 6.295507 | -.02219740 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .477905 | < R2 > | .268398 | < 1/R > | 3.059589 | < 1/R**2 > | 38.147336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.101479 | .92362241 |
| 2 | 1s | 22.110181 | .07336522 |
| 3 | 2s | 15.250473 | .01966642 |
| 4 | 3s | 17.863817 | -.01406966 |
| 5 | 5s | 34.948732 | .00082474 |
| 6 | 4s | 9.706317 | .00079453 |
| 7 | 5s | 15.444194 | .00148914 |
| 8 | 3s | 53.016673 | -.00011363 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103377 | < R2 > | .014341 | < 1/R > | 14.611199 | < 1/R**2 > | 430.314656 |
Total Energy= -305.39090438 a.u.
Kinetic Energy= 305.39091009 a.u.
Potential Energy= -610.78181447 a.u.
Virial Ratio = -1.99999998