(1s 2 2s 2 2p 3 ) 2 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 5.125894 | 1.20619243 |
| 2 | 3p | 6.355396 | -.23211135 |
| 3 | 2p | 12.895093 | .02356629 |
| 4 | 4p | 14.319946 | .00530283 |
| 5 | 5p | 31.153406 | -.00024536 |
| 6 | 5p | 4.314303 | .00474187 |
| 7 | 4p | 3.288827 | -.00169933 |
| ORB.ENERGY,a.u. | -10.837000 | ||
| NORM | 1.000000 | < R > | .465183 | < R2 > | .264658 | < 1/R > | 2.750993 | < 1/R**2 > | 10.389369 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.288204 | .38680223 |
| 2 | 2s | 5.826110 | -.84161135 |
| 3 | 3s | 5.728365 | -.27923023 |
| 4 | 4s | 22.925694 | .00226610 |
| 5 | 3s | 13.772938 | .01343531 |
| 6 | 5s | 5.784883 | -.02518428 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .519255 | < R2 > | .317148 | < 1/R > | 2.811071 | < 1/R**2 > | 32.225661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165577 | .92818641 |
| 2 | 1s | 21.032062 | .06791190 |
| 3 | 2s | 14.403647 | .02002681 |
| 4 | 3s | 17.402437 | -.01319125 |
| 5 | 5s | 33.377694 | .00101369 |
| 6 | 4s | 7.831729 | .00039369 |
| 7 | 5s | 13.339216 | .00193858 |
| 8 | 3s | 55.350463 | -.00007782 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110990 | < R2 > | .016537 | < 1/R > | 13.614546 | < 1/R**2 > | 373.790499 |
Total Energy= -262.62763664 a.u.
Kinetic Energy= 262.29439138 a.u.
Potential Energy= -524.92202802 a.u.
Virial Ratio = -2.00127050