(1s 2 2s 1 4s 1 ) 3 S Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 10.293650 | .15792797 |
| 2 | 2s | 3.265462 | -1.73674146 |
| 3 | 3s | 2.913203 | 4.97338349 |
| 4 | 4s | 2.852902 | -4.12175795 |
| 5 | 5s | 4.825938 | .16186047 |
| 6 | 4s | 9.049110 | -.05256433 |
| 7 | 5s | 27.671046 | .00107536 |
| 8 | 4s | 38.653457 | .00017537 |
| ORB.ENERGY,a.u. | -4.050900 | ||
| NORM | 1.000001 | < R > | 2.045564 | < R2 > | 4.700365 | < 1/R > | .714634 | < 1/R**2 > | 4.050176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.514401 | .41925444 |
| 2 | 2s | 5.996492 | -.79948795 |
| 3 | 3s | 7.154171 | -.30343171 |
| 4 | 5s | 12.437541 | -.02620631 |
| 5 | 4s | 24.865724 | .00604539 |
| 6 | 5s | 32.918482 | -.00151532 |
| 7 | 4s | 86.329802 | .00002007 |
| ORB.ENERGY,a.u. | -18.638000 | ||
| NORM | 1.000000 | < R > | .471200 | < R2 > | .258978 | < 1/R > | 3.127832 | < 1/R**2 > | 39.455308 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.406661 | .93519257 |
| 2 | 1s | 21.175488 | .05320218 |
| 3 | 2s | 15.991290 | .01658360 |
| 4 | 3s | 2.818844 | .00197433 |
| 5 | 4s | 57.090947 | -.00046557 |
| 6 | 5s | 76.494798 | .00016942 |
| 7 | 5s | 13.343044 | .00105521 |
| 8 | 4s | 3.668743 | -.00179114 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110264 | < R2 > | .016279 | < 1/R > | 13.673701 | < 1/R**2 > | 376.351557 |
Total Energy= -210.56916889 a.u.
Kinetic Energy= 210.58236160 a.u.
Potential Energy= -421.15153049 a.u.
Virial Ratio = -1.99993735