(1s 2 2s 2 2p 6 3s 2 3p 2 ) 3 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.993410 | .24408374 |
| 2 | 2p | .837054 | -.65142828 |
| 3 | 3p | 1.471367 | -.48725751 |
| 4 | 2p | 8.778800 | .03685703 |
| 5 | 4p | 6.249285 | -.02780439 |
| 6 | 5p | 1.948399 | .09717329 |
| 7 | 3p | 14.498444 | -.00144076 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.752239 | < R2 > | 8.981232 | < 1/R > | .478031 | < 1/R**2 > | .501193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.770416 | -.14662977 |
| 2 | 1s | 10.483950 | .13361370 |
| 3 | 2s | 4.515377 | -.20014909 |
| 4 | 3s | 1.593447 | .78840229 |
| 5 | 4s | 2.956630 | .21283645 |
| 6 | 3s | 14.348000 | .00458238 |
| 7 | 5s | 1.374701 | .09589894 |
| 8 | 4s | 46.877833 | -.00004146 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.207084 | < R2 > | 5.676225 | < 1/R > | .603231 | < 1/R**2 > | 1.997904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.157780 | .47875839 |
| 2 | 3p | 5.477733 | .48459242 |
| 3 | 4p | 4.349203 | .13523515 |
| 4 | 5p | 3.033902 | .00527804 |
| 5 | 2p | 13.183788 | .01292667 |
| 6 | 5p | 26.995894 | -.00079936 |
| 7 | 4p | 34.407163 | -.00036156 |
| 8 | 3p | .673288 | .00089568 |
| 9 | 3p | 47.746880 | -.00002744 |
| 10 | 5p | .876767 | -.00061122 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535408 | < R2 > | .359681 | < 1/R > | 2.456382 | < 1/R**2 > | 8.520326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.388367 | .35166782 |
| 2 | 2s | 4.929682 | -.77283388 |
| 3 | 3s | 4.399943 | -.16933828 |
| 4 | 4s | 21.774497 | .00227438 |
| 5 | 2s | 6.485596 | -.18164536 |
| 6 | 3s | 14.114041 | .01024781 |
| 7 | 4s | 3.265999 | -.00436109 |
| 8 | 5s | 42.044878 | .00007794 |
| 9 | 5s | 1.551043 | -.00015222 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562941 | < R2 > | .377257 | < 1/R > | 2.590401 | < 1/R**2 > | 27.691125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577692 | 1.01500140 |
| 2 | 2s | 18.823086 | -.02467043 |
| 3 | 3s | 9.617508 | .02349142 |
| 4 | 4s | 48.910566 | -.00007945 |
| 5 | 4s | 27.260672 | .00096870 |
| 6 | 2s | 69.839677 | .00001921 |
| 7 | 5s | 11.879511 | -.00877112 |
| 8 | 3s | 2.658330 | .00060515 |
| 9 | 4s | 3.019581 | -.00049215 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111431 | < R2 > | .016701 | < 1/R > | 13.581151 | < 1/R**2 > | 372.382246 |
Total Energy= -288.85436588 a.u.
Kinetic Energy= 288.85438365 a.u.
Potential Energy= -577.70874952 a.u.
Virial Ratio = -1.99999994