(1s 2 2s 2 2p 2 3p 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3.812652 | .68003212 |
| 2 | 3p | 2.863462 | -1.36345332 |
| 3 | 2p | 10.242239 | .03794936 |
| 4 | 4p | 6.083644 | -.09385210 |
| 5 | 5p | 18.023216 | .00193577 |
| 6 | 5p | 6.893429 | .03632661 |
| ORB.ENERGY,a.u. | -4.066500 | ||
| NORM | 1.000000 | < R > | 1.391882 | < R2 > | 2.176440 | < 1/R > | .907456 | < 1/R**2 > | 1.557182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.461142 | 1.31672568 |
| 2 | 3p | 7.168472 | -.38367613 |
| 3 | 2p | 1.828512 | -.07216510 |
| 4 | 4p | 8.970663 | .09383851 |
| 5 | 5p | 17.472457 | .00443930 |
| 6 | 5p | 2.405305 | .01636777 |
| 7 | 3p | 21.961801 | -.00016925 |
| ORB.ENERGY,a.u. | -11.820000 | ||
| NORM | 1.000000 | < R > | .435843 | < R2 > | .228899 | < 1/R > | 2.891654 | < 1/R**2 > | 11.318642 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.262778 | .39691769 |
| 2 | 2s | 5.889483 | -.84567900 |
| 3 | 3s | 6.069940 | -.27742365 |
| 4 | 4s | 22.879101 | .00232173 |
| 5 | 3s | 13.702638 | .01461662 |
| 6 | 5s | 5.789947 | -.02673736 |
| 7 | 5s | 2.455952 | -.00008005 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508522 | < R2 > | .303616 | < 1/R > | 2.874329 | < 1/R**2 > | 33.587021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159423 | .92709803 |
| 2 | 1s | 20.479482 | .07202080 |
| 3 | 2s | 12.272525 | .01937981 |
| 4 | 3s | 15.692805 | -.01542084 |
| 5 | 5s | 32.614263 | .00095051 |
| 6 | 4s | 74.069173 | -.00005028 |
| 7 | 5s | 11.445462 | .00057728 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110826 | < R2 > | .016477 | < 1/R > | 13.627077 | < 1/R**2 > | 374.320223 |
Total Energy= -255.61710171 a.u.
Kinetic Energy= 255.52635806 a.u.
Potential Energy= -511.14345977 a.u.
Virial Ratio = -2.00035512