(1s 2 2s 1 3s 1 ) 3 S Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 10.126986 | .25282553 |
| 2 | 2s | 4.495881 | -1.27598143 |
| 3 | 3s | 3.790171 | 1.85690551 |
| 4 | 4s | 6.989707 | -.11435721 |
| 5 | 5s | 12.118126 | -.02217980 |
| 6 | 4s | 23.051431 | .00284802 |
| 7 | 5s | 3.652417 | -.01109811 |
| 8 | 3s | 30.463563 | .00031272 |
| ORB.ENERGY,a.u. | -7.400600 | ||
| NORM | 1.000000 | < R > | 1.126134 | < R2 > | 1.434529 | < 1/R > | 1.286597 | < 1/R**2 > | 9.873767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.682552 | .41116448 |
| 2 | 2s | 5.845314 | -.79821545 |
| 3 | 3s | 7.347043 | -.29972829 |
| 4 | 5s | 12.777298 | -.02698541 |
| 5 | 4s | 24.455441 | .00321044 |
| 6 | 5s | 7.075624 | .00823839 |
| 7 | 3s | 33.616288 | .00023137 |
| 8 | 4s | 3.289304 | .00011080 |
| ORB.ENERGY,a.u. | -18.284000 | ||
| NORM | 1.000000 | < R > | .470766 | < R2 > | .258570 | < 1/R > | 3.133216 | < 1/R**2 > | 39.614699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.405778 | .93595413 |
| 2 | 1s | 21.363961 | .05207966 |
| 3 | 2s | 16.439301 | .01643880 |
| 4 | 3s | 9.143545 | .00169997 |
| 5 | 4s | 57.088559 | -.00047327 |
| 6 | 5s | 76.553972 | .00017171 |
| 7 | 5s | 15.086998 | .00023942 |
| 8 | 4s | 3.711320 | -.00029848 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110294 | < R2 > | .016290 | < 1/R > | 13.671250 | < 1/R**2 > | 376.243487 |
Total Energy= -213.88184149 a.u.
Kinetic Energy= 213.92308183 a.u.
Potential Energy= -427.80492332 a.u.
Virial Ratio = -1.99980722