(1s 2 2s 2 2p 6 3s 1 4s 1 ) 1 S Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 11.550973 | .01794979 |
| 2 | 2s | 4.588227 | -.07147298 |
| 3 | 3s | 1.520556 | .50612768 |
| 4 | 4s | 1.197641 | -1.13831441 |
| 5 | 5s | 2.562965 | .02982981 |
| 6 | 3s | 24.698964 | .00104923 |
| 7 | 4s | 38.896314 | -.00087052 |
| 8 | 5s | 1.068358 | -.23634174 |
| 9 | 2s | .595149 | .02065520 |
| 10 | 5s | 51.720513 | .00031894 |
| ORB.ENERGY,a.u. | -.516360 | ||
| NORM | 1.000000 | < R > | 4.529981 | < R2 > | 22.183023 | < 1/R > | .244344 | < 1/R**2 > | .134739 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .595628 | 1.28340493 |
| 2 | 1s | 13.268570 | .08339070 |
| 3 | 2s | 4.203699 | -.59395609 |
| 4 | 3s | .946752 | -1.00493667 |
| 5 | 4s | 2.430365 | .64356963 |
| 6 | 5s | 11.775754 | -.02887815 |
| 7 | 4s | 14.608025 | -.02346926 |
| 8 | 3s | 35.753702 | .00041417 |
| 9 | 2s | 43.998294 | .00021216 |
| 10 | 5s | .782802 | -.04769523 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000001 | < R > | 1.791198 | < R2 > | 3.860989 | < 1/R > | .767264 | < 1/R**2 > | 3.425118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.588875 | .43609711 |
| 2 | 3p | 5.864964 | .48557521 |
| 3 | 4p | 4.717956 | .18376175 |
| 4 | 5p | 3.808107 | .01315181 |
| 5 | 2p | 16.940430 | .00409378 |
| 6 | 5p | 32.374453 | -.00014487 |
| 7 | 4p | 93.266567 | .00000202 |
| 8 | 3p | .850907 | -.00007666 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533315 | < R2 > | .356224 | < 1/R > | 2.462912 | < 1/R**2 > | 8.558026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.457998 | .34893300 |
| 2 | 2s | 5.551135 | -.82070727 |
| 3 | 3s | 4.643787 | -.30625987 |
| 4 | 4s | 20.000043 | .00295579 |
| 5 | 3s | 15.434751 | .00705110 |
| 6 | 2s | 2.167852 | -.00649079 |
| 7 | 5s | 38.980815 | .00015629 |
| 8 | 4s | .621940 | -.00211066 |
| 9 | 5s | .713357 | .00188296 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562182 | < R2 > | .376149 | < 1/R > | 2.593839 | < 1/R**2 > | 27.759374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587129 | 1.01399684 |
| 2 | 2s | 19.340546 | -.02232032 |
| 3 | 3s | 9.855387 | .01994801 |
| 4 | 4s | 54.430550 | -.00040357 |
| 5 | 4s | 10.375549 | .00285627 |
| 6 | 5s | 71.132912 | .00012829 |
| 7 | 5s | 11.813029 | -.00880862 |
| 8 | 2s | 188.331835 | .00000089 |
| 9 | 2s | 4.999565 | .00076444 |
| 10 | 5s | 1.757681 | -.00000988 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581948 | < 1/R**2 > | 372.416498 |
Total Energy= -287.34060173 a.u.
Kinetic Energy= 287.33714883 a.u.
Potential Energy= -574.67775055 a.u.
Virial Ratio = -2.00001202