(1s 2 2s 2 2p 3 4s 1 ) 5 S Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 11.564688 | .09693859 |
| 2 | 2s | 2.711227 | -1.34226633 |
| 3 | 3s | 2.669552 | 2.75136938 |
| 4 | 4s | 1.958411 | -1.83306604 |
| 5 | 5s | 3.892593 | -.22143029 |
| 6 | 4s | 11.671535 | -.02377324 |
| 7 | 5s | 15.556440 | .00308986 |
| 8 | 5s | 58.556644 | -.00005310 |
| 9 | 5s | 1.551076 | .00637857 |
| ORB.ENERGY,a.u. | -1.938000 | ||
| NORM | 1.000001 | < R > | 2.728433 | < R2 > | 8.362737 | < 1/R > | .524661 | < 1/R**2 > | 2.244047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.243083 | 1.36511517 |
| 2 | 3p | 6.696652 | -.46154099 |
| 3 | 4p | 8.233069 | .09168258 |
| 4 | 5p | 23.783716 | -.00249829 |
| 5 | 4p | 3.404494 | .01056857 |
| 6 | 4p | 31.107160 | -.00125461 |
| 7 | 5p | 3.456636 | -.00590197 |
| 8 | 3p | 2.646529 | .00001729 |
| 9 | 3p | 44.509570 | -.00010047 |
| ORB.ENERGY,a.u. | -10.703000 | ||
| NORM | 1.000000 | < R > | .463086 | < R2 > | .261983 | < 1/R > | 2.759520 | < 1/R**2 > | 10.437277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.138966 | .39370612 |
| 2 | 2s | 5.882100 | -.86464577 |
| 3 | 3s | 5.392829 | -.29004479 |
| 4 | 4s | 23.632558 | .00211497 |
| 5 | 3s | 12.933984 | .01945199 |
| 6 | 5s | 3.925151 | -.00689448 |
| 7 | 4s | 1.872776 | .00816039 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .520553 | < R2 > | .319002 | < 1/R > | 2.804529 | < 1/R**2 > | 32.090112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.171421 | .92537541 |
| 2 | 1s | 20.166693 | .07347558 |
| 3 | 2s | 11.094673 | .01829285 |
| 4 | 3s | 15.911367 | -.01525203 |
| 5 | 4s | 24.059698 | .00309935 |
| 6 | 5s | 43.690431 | .00026885 |
| 7 | 5s | 7.559819 | .00022663 |
| 8 | 4s | 1.745542 | -.00238517 |
| 9 | 3s | 1.455843 | .00210830 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .110993 | < R2 > | .016539 | < 1/R > | 13.614243 | < 1/R**2 > | 373.775672 |
Total Energy= -264.55134458 a.u.
Kinetic Energy= 264.56400319 a.u.
Potential Energy= -529.11534778 a.u.
Virial Ratio = -1.99995215