(1s 2 2s 2 2p 5 3p 1 ) 3 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 4.166703 | .45104729 |
| 2 | 3p | 2.053469 | -1.09447794 |
| 3 | 4p | 6.432744 | -.07757582 |
| 4 | 2p | 10.351396 | .03463889 |
| 5 | 5p | 17.034552 | .00194651 |
| 6 | 5p | 1.622825 | -.00200920 |
| 7 | 3p | 32.161522 | -.00001641 |
| ORB.ENERGY,a.u. | -1.932200 | ||
| NORM | 1.000000 | < R > | 1.787929 | < R2 > | 3.658898 | < 1/R > | .749310 | < 1/R**2 > | 1.238649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.205123 | 1.28980571 |
| 2 | 3p | 4.893364 | -.39012551 |
| 3 | 2p | 10.133994 | .09459831 |
| 4 | 4p | 12.092382 | .01757781 |
| 5 | 5p | 2.902159 | .01251991 |
| 6 | 3p | 45.899967 | .00002387 |
| 7 | 4p | 2.641266 | -.01366896 |
| ORB.ENERGY,a.u. | -6.768200 | ||
| NORM | 1.000000 | < R > | .508614 | < R2 > | .321148 | < 1/R > | 2.557557 | < 1/R**2 > | 9.136599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.401853 | .36018149 |
| 2 | 2s | 5.633126 | -.82978162 |
| 3 | 3s | 4.887449 | -.30200014 |
| 4 | 4s | 17.554597 | .00434785 |
| 5 | 3s | 16.197170 | .00702578 |
| 6 | 5s | 34.667113 | .00038512 |
| 7 | 5s | 4.140474 | -.00405270 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .548480 | < R2 > | .356518 | < 1/R > | 2.657859 | < 1/R**2 > | 29.041044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198302 | .91859287 |
| 2 | 1s | 19.537077 | .07830957 |
| 3 | 2s | 7.812437 | .02030185 |
| 4 | 3s | 9.762791 | -.02096045 |
| 5 | 4s | 12.272495 | .01076870 |
| 6 | 5s | 33.393306 | .00082294 |
| 7 | 4s | 74.819992 | -.00004380 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111323 | < R2 > | .016660 | < 1/R > | 13.589130 | < 1/R**2 > | 372.718208 |
Total Energy= -281.01581317 a.u.
Kinetic Energy= 281.03333630 a.u.
Potential Energy= -562.04914947 a.u.
Virial Ratio = -1.99993765