(1s 2 2s 2 2p 2 4s 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 11.288700 | .10372801 |
| 2 | 2s | 2.864295 | -1.33283601 |
| 3 | 3s | 2.606426 | 3.30791939 |
| 4 | 4s | 2.202527 | -2.42646769 |
| 5 | 5s | 3.641785 | -.21593976 |
| 6 | 4s | 11.430466 | -.01107212 |
| 7 | 5s | 32.385729 | .00023406 |
| 8 | 5s | 1.759614 | -.00630375 |
| ORB.ENERGY,a.u. | -2.380700 | ||
| NORM | 1.000001 | < R > | 2.535888 | < R2 > | 7.217646 | < 1/R > | .557543 | < 1/R**2 > | 2.391734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.325429 | 1.15891388 |
| 2 | 3p | 6.309059 | -.18174375 |
| 3 | 2p | 13.879574 | .01964991 |
| 4 | 4p | 16.948179 | .00763260 |
| 5 | 5p | 24.167138 | -.00188552 |
| 6 | 5p | 3.004920 | .00034249 |
| 7 | 4p | 66.142517 | .00003239 |
| ORB.ENERGY,a.u. | -12.378000 | ||
| NORM | 1.000000 | < R > | .446807 | < R2 > | .242788 | < 1/R > | 2.845199 | < 1/R**2 > | 11.030629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.034744 | .41149901 |
| 2 | 2s | 6.043030 | -.86235629 |
| 3 | 3s | 6.147840 | -.27287016 |
| 4 | 4s | 23.664577 | .00275487 |
| 5 | 3s | 12.109960 | .02755661 |
| 6 | 5s | 6.504482 | -.04365532 |
| 7 | 4s | 1.886054 | -.02453991 |
| 8 | 3s | 1.573350 | .01926172 |
| 9 | 5s | 65.991496 | .00002198 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .505883 | < R2 > | .300409 | < 1/R > | 2.889903 | < 1/R**2 > | 33.924808 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.256966 | .91702079 |
| 2 | 1s | 19.847679 | .07549007 |
| 3 | 2s | 13.564550 | .01579895 |
| 4 | 3s | 6.735351 | -.02717218 |
| 5 | 5s | 13.273045 | .01239844 |
| 6 | 3s | 38.993299 | -.00041014 |
| 7 | 5s | 8.584897 | .01637585 |
| 8 | 4s | 1.677920 | .00176851 |
| 9 | 3s | 1.307709 | -.00124778 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110801 | < R2 > | .016470 | < 1/R > | 13.629266 | < 1/R**2 > | 374.414004 |
Total Energy= -253.85622721 a.u.
Kinetic Energy= 253.83953102 a.u.
Potential Energy= -507.69575823 a.u.
Virial Ratio = -2.00006577