(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4p- electron | |
| 1 | 2p | .467450 | -.17425833 |
| 2 | 3p | .399793 | 1.04318962 |
| 3 | 5p | .667471 | .12355768 |
| 4 | 4p | 1.351630 | -.08617328 |
| 5 | 2p | 5.516267 | .01951852 |
| 6 | 5p | 3.191951 | -.02127017 |
| 7 | 3p | 8.210139 | -.00288046 |
| ORB.ENERGY,a.u. | -.075153 | ||
| NORM | 1.000000 | < R > | 9.354445 | < R2 > | 97.241731 | < 1/R > | .120324 | < 1/R**2 > | .018801 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.477548 | .25698658 |
| 2 | 2p | 1.063585 | -.84177528 |
| 3 | 3p | 1.543185 | -.25529896 |
| 4 | 2p | 7.024250 | .10316692 |
| 5 | 3p | 10.130700 | -.00974721 |
| 6 | 4p | .455709 | .08176967 |
| 7 | 4p | 26.204387 | -.00018796 |
| 8 | 5p | 10.016454 | -.00166087 |
| 9 | 5p | .873172 | .03693714 |
| 10 | 2p | 70.461525 | .00000110 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.439226 | < R2 > | 7.262580 | < 1/R > | .540472 | < 1/R**2 > | .641648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.287722 | -.15845922 |
| 2 | 1s | 9.507921 | .18332558 |
| 3 | 1s | 21.847254 | .00210253 |
| 4 | 2s | 4.235382 | -.26864137 |
| 5 | 3s | 1.706828 | .86383757 |
| 6 | 4s | 3.075980 | .15692088 |
| 7 | 5s | 1.537771 | .07134863 |
| 8 | 4s | 44.925209 | -.00006194 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.095638 | < R2 > | 5.059777 | < 1/R > | .633461 | < 1/R**2 > | 2.219727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177332 | .48222488 |
| 2 | 3p | 5.436533 | .49338711 |
| 3 | 4p | 4.264748 | .12710334 |
| 4 | 5p | 2.737962 | .00340662 |
| 5 | 2p | 14.230652 | .00945223 |
| 6 | 5p | 31.545521 | -.00045816 |
| 7 | 4p | 45.435750 | -.00008186 |
| 8 | 3p | .845584 | .00009606 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535303 | < R2 > | .359523 | < 1/R > | 2.456787 | < 1/R**2 > | 8.522827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398711 | .35140317 |
| 2 | 2s | 4.934626 | -.77287554 |
| 3 | 3s | 4.397768 | -.16879811 |
| 4 | 4s | 21.982401 | .00178015 |
| 5 | 2s | 6.454552 | -.18123444 |
| 6 | 3s | 14.456279 | .01042322 |
| 7 | 4s | 3.407463 | -.00409951 |
| 8 | 4s | 61.905567 | -.00002038 |
| 9 | 5s | 1.801036 | -.00007333 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562577 | < R2 > | .376701 | < 1/R > | 2.591980 | < 1/R**2 > | 27.722232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577876 | 1.01499740 |
| 2 | 2s | 18.821075 | -.02466645 |
| 3 | 3s | 9.621739 | .02347378 |
| 4 | 4s | 48.578400 | -.00008119 |
| 5 | 4s | 27.351686 | .00097348 |
| 6 | 2s | 69.787764 | .00001924 |
| 7 | 5s | 11.889495 | -.00876459 |
| 8 | 3s | 2.583561 | .00063266 |
| 9 | 4s | 2.957754 | -.00051826 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016700 | < 1/R > | 13.581418 | < 1/R**2 > | 372.393255 |
Total Energy= -288.64978209 a.u.
Kinetic Energy= 288.64821572 a.u.
Potential Energy= -577.29799781 a.u.
Virial Ratio = -2.00000543