(1s 2 2s 2 2p 1 5p 1 ) 1 S S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | 5.437679 | .27596760 |
| 2 | 3p | 2.587200 | -3.06768970 |
| 3 | 4p | 2.262738 | 8.89627034 |
| 4 | 5p | 2.251131 | -6.53775500 |
| 5 | 2p | 16.362495 | .00215326 |
| 6 | 5p | 8.502608 | .03908618 |
| 7 | 5p | 4.072309 | -.31185999 |
| 8 | 4p | 18.888385 | .00055722 |
| ORB.ENERGY,a.u. | -2.531200 | ||
| NORM | .999998 | < R > | 3.167254 | < R2 > | 11.284414 | < 1/R > | .427820 | < 1/R**2 > | .459004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.819804 | 1.14853976 |
| 2 | 3p | 1.692248 | -.53923091 |
| 3 | 3p | 9.388848 | -.14602781 |
| 4 | 4p | 2.584947 | .24576437 |
| 5 | 5p | 2.796158 | .23593142 |
| 6 | 5p | 14.573004 | .01190925 |
| 7 | 4p | 29.115536 | -.00165562 |
| 8 | 5p | 1.816711 | .06586646 |
| 9 | 3p | 38.726737 | -.00022721 |
| ORB.ENERGY,a.u. | -20.264000 | ||
| NORM | 1.000000 | < R > | .372889 | < R2 > | .201955 | < 1/R > | 3.470045 | < 1/R**2 > | 16.274651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761389 | .37923741 |
| 2 | 2s | 6.111658 | -.81249845 |
| 3 | 3s | 8.821681 | -.28397254 |
| 4 | 4s | 29.962016 | .00127723 |
| 5 | 5s | 17.063117 | -.00983960 |
| 6 | 5s | 6.782477 | .01832122 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424194 | < R2 > | .210483 | < 1/R > | 3.461955 | < 1/R**2 > | 48.455914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.174531 | .93539730 |
| 2 | 1s | 23.830462 | .06208339 |
| 3 | 2s | 14.200353 | .02497430 |
| 4 | 3s | 23.030904 | -.00905548 |
| 5 | 4s | 18.976767 | -.01209743 |
| 6 | 5s | 41.862979 | .00073096 |
| 7 | 3s | 75.654924 | -.00002844 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096368 | < R2 > | .012437 | < 1/R > | 15.646592 | < 1/R**2 > | 492.711832 |
Total Energy= -318.94649749 a.u.
Kinetic Energy= 318.91341114 a.u.
Potential Energy= -637.85990863 a.u.
Virial Ratio = -2.00010375