(1s 2 2s 2 2p 6 3s 2 3p 2 ) 1 S Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 4.080079 | .27695825 |
| 2 | 2p | .802857 | -.79840720 |
| 3 | 3p | 1.798824 | -.24513856 |
| 4 | 2p | 10.711694 | .01700326 |
| 5 | 4p | 6.596811 | -.04683712 |
| 6 | 5p | .812540 | -.03700946 |
| 7 | 5p | 18.181411 | .00074637 |
| ORB.ENERGY,a.u. | -.185600 | ||
| NORM | 1.000000 | < R > | 2.953536 | < R2 > | 10.610625 | < 1/R > | .455795 | < 1/R**2 > | .467488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.708392 | -.14869827 |
| 2 | 1s | 10.493262 | .13408658 |
| 3 | 2s | 4.550658 | -.19970953 |
| 4 | 3s | 1.590894 | .78646840 |
| 5 | 4s | 2.942104 | .22386840 |
| 6 | 3s | 14.316116 | .00463049 |
| 7 | 5s | 1.351134 | .08537012 |
| 8 | 4s | 47.668911 | -.00003953 |
| 9 | 4s | .528162 | .00043083 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.191355 | < R2 > | 5.593885 | < 1/R > | .607945 | < 1/R**2 > | 2.034157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.169294 | .47966378 |
| 2 | 3p | 5.465756 | .48788569 |
| 3 | 4p | 4.320523 | .13277766 |
| 4 | 5p | 2.915672 | .00474690 |
| 5 | 2p | 13.577665 | .01143364 |
| 6 | 5p | 28.515329 | -.00068282 |
| 7 | 4p | 37.705077 | -.00023608 |
| 8 | 3p | .953352 | .00095543 |
| 9 | 3p | 56.579249 | -.00001252 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535535 | < R2 > | .359965 | < 1/R > | 2.456169 | < 1/R**2 > | 8.519432 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.388679 | .35171286 |
| 2 | 2s | 4.930688 | -.77282084 |
| 3 | 3s | 4.400284 | -.16933386 |
| 4 | 4s | 21.736907 | .00227309 |
| 5 | 2s | 6.483195 | -.18166204 |
| 6 | 3s | 14.131393 | .01022162 |
| 7 | 4s | 3.289693 | -.00425460 |
| 8 | 5s | 41.819629 | .00008056 |
| 9 | 5s | 1.520577 | -.00015896 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562839 | < R2 > | .377102 | < 1/R > | 2.590842 | < 1/R**2 > | 27.699798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577746 | 1.01500022 |
| 2 | 2s | 18.822025 | -.02466880 |
| 3 | 3s | 9.619306 | .02348502 |
| 4 | 4s | 49.005278 | -.00007963 |
| 5 | 4s | 27.269381 | .00096879 |
| 6 | 2s | 69.881753 | .00001906 |
| 7 | 5s | 11.882892 | -.00876778 |
| 8 | 3s | 2.654784 | .00060650 |
| 9 | 4s | 3.018378 | -.00049222 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111430 | < R2 > | .016701 | < 1/R > | 13.581226 | < 1/R**2 > | 372.385403 |
Total Energy= -288.84990539 a.u.
Kinetic Energy= 288.75906698 a.u.
Potential Energy= -577.60897237 a.u.
Virial Ratio = -2.00031458