(1s 2 2s 2 2p 6 3s 1 5s 1 ) 3 S Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 11.961205 | .02982129 |
| 2 | 2s | 4.216654 | -.12359916 |
| 3 | 3s | 1.823950 | .49626186 |
| 4 | 4s | 1.000948 | -1.69440841 |
| 5 | 5s | .808478 | 1.71541139 |
| 6 | 5s | 12.933248 | -.00512651 |
| 7 | 4s | 16.073213 | -.00214573 |
| 8 | 3s | .524248 | .19299032 |
| 9 | 2s | 44.098916 | .00001292 |
| 10 | 4s | .409110 | -.00917897 |
| ORB.ENERGY,a.u. | -.287270 | ||
| NORM | 1.000003 | < R > | 7.914943 | < R2 > | 69.905384 | < 1/R > | .170685 | < 1/R**2 > | .256288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.050143 | .96288227 |
| 2 | 1s | 12.731321 | .07096304 |
| 3 | 2s | 4.544590 | -.69608064 |
| 4 | 3s | 1.216443 | -.13467776 |
| 5 | 4s | 2.359692 | .46994552 |
| 6 | 5s | 5.262022 | -.09509750 |
| 7 | 4s | 12.726739 | -.00999343 |
| 8 | 2s | 46.678863 | .00002294 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.869842 | < R2 > | 3.971390 | < 1/R > | .716346 | < 1/R**2 > | 2.940317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.580202 | .43698125 |
| 2 | 3p | 5.859871 | .48557090 |
| 3 | 4p | 4.701865 | .18430592 |
| 4 | 5p | 3.726758 | .01106204 |
| 5 | 2p | 16.791117 | .00426220 |
| 6 | 5p | 33.238490 | -.00014617 |
| 7 | 4p | 102.693226 | .00000126 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533052 | < R2 > | .355810 | < 1/R > | 2.463764 | < 1/R**2 > | 8.562976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.466085 | .34857719 |
| 2 | 2s | 5.551086 | -.81833065 |
| 3 | 3s | 4.656232 | -.30541869 |
| 4 | 4s | 18.486364 | .00454647 |
| 5 | 3s | 17.141636 | .00517228 |
| 6 | 2s | 2.410317 | -.00873859 |
| 7 | 5s | 36.729085 | .00020696 |
| 8 | 5s | .604685 | -.00116577 |
| 9 | 2s | 99.523587 | .00000108 |
| 10 | 4s | .492419 | .00089333 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562115 | < R2 > | .376020 | < 1/R > | 2.594001 | < 1/R**2 > | 27.761785 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587137 | 1.01399717 |
| 2 | 2s | 19.340834 | -.02232082 |
| 3 | 3s | 9.855219 | .01994853 |
| 4 | 4s | 54.410383 | -.00040351 |
| 5 | 4s | 10.377968 | .00285569 |
| 6 | 5s | 71.157108 | .00012817 |
| 7 | 5s | 11.812772 | -.00880864 |
| 8 | 2s | 185.378970 | .00000091 |
| 9 | 2s | 4.997390 | .00076492 |
| 10 | 5s | 2.004408 | -.00000603 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581954 | < 1/R**2 > | 372.416974 |
Total Energy= -287.10584222 a.u.
Kinetic Energy= 287.10843752 a.u.
Potential Energy= -574.21427974 a.u.
Virial Ratio = -1.99999096