(1s 2 2s 2 2p 5 5p 1 ) 1 S Si 4+
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 | 2.877855 | .18989999 |
| 2 | 3p | 1.397940 | -2.04793048 |
| 3 | 4p | 1.221972 | 4.28139376 |
| 4 | 5p | 1.061770 | -3.02143811 |
| 5 | 2p | 8.490483 | .02349800 |
| 6 | 5p | 12.632579 | .00120297 |
| 7 | 4p | 29.969135 | -.00007124 |
| ORB.ENERGY,a.u. | -.571110 | ||
| NORM | .999998 | < R > | 6.395160 | < R2 > | 45.937885 | < 1/R > | .213199 | < 1/R**2 > | .131740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.454856 | 1.24901546 |
| 2 | 3p | 5.402640 | -.32023987 |
| 3 | 2p | 10.405536 | .07353882 |
| 4 | 4p | 12.082657 | .01057452 |
| 5 | 5p | 1.393031 | .06623269 |
| 6 | 4p | 1.043431 | -.06649852 |
| 7 | 5p | 29.338112 | -.00049294 |
| 8 | 4p | 40.255770 | -.00011585 |
| 9 | 3p | .498096 | -.00083890 |
| ORB.ENERGY,a.u. | -7.219700 | ||
| NORM | 1.000000 | < R > | .506420 | < R2 > | .322129 | < 1/R > | 2.566723 | < 1/R**2 > | 9.189666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398477 | .36113858 |
| 2 | 2s | 5.638542 | -.83069108 |
| 3 | 3s | 4.899863 | -.30205303 |
| 4 | 4s | 17.580331 | .00474243 |
| 5 | 3s | 16.514631 | .00655666 |
| 6 | 5s | 34.744663 | .00037367 |
| 7 | 5s | 4.502684 | -.00199668 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547102 | < R2 > | .354462 | < 1/R > | 2.663911 | < 1/R**2 > | 29.160528 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199466 | .91834365 |
| 2 | 1s | 19.516201 | .07854880 |
| 3 | 2s | 7.790381 | .02030170 |
| 4 | 3s | 9.781451 | -.02092522 |
| 5 | 4s | 12.337288 | .01065491 |
| 6 | 5s | 33.345795 | .00088017 |
| 7 | 4s | 77.760357 | -.00004002 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111309 | < R2 > | .016655 | < 1/R > | 13.590248 | < 1/R**2 > | 372.766018 |
Total Energy= -279.69027253 a.u.
Kinetic Energy= 279.67302112 a.u.
Potential Energy= -559.36329364 a.u.
Virial Ratio = -2.00006168