(1s 2 2s 2 2p 4 3s 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 11.889814 | .12492132 |
| 2 | 2s | 3.957554 | -.60182695 |
| 3 | 3s | 2.506779 | 1.25401903 |
| 4 | 4s | 10.385912 | -.03235311 |
| 5 | 5s | 17.673257 | -.00431970 |
| 6 | 3s | 15.277283 | -.00404423 |
| 7 | 4s | 3.371017 | .00520972 |
| ORB.ENERGY,a.u. | -2.946100 | ||
| NORM | 1.000000 | < R > | 1.564274 | < R2 > | 2.753932 | < 1/R > | .858753 | < 1/R**2 > | 4.162833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.618037 | 1.21586662 |
| 2 | 3p | 5.384139 | -.28713310 |
| 3 | 2p | 10.794844 | .06743281 |
| 4 | 4p | 12.832871 | .01260807 |
| 5 | 5p | 31.017410 | -.00017924 |
| 6 | 5p | 3.177172 | .00035336 |
| ORB.ENERGY,a.u. | -8.143700 | ||
| NORM | 1.000000 | < R > | .485984 | < R2 > | .290716 | < 1/R > | 2.652439 | < 1/R**2 > | 9.735529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.496420 | .32460861 |
| 2 | 2s | 4.800988 | -.77413794 |
| 3 | 3s | 7.745248 | -.24059013 |
| 4 | 4s | 6.191774 | -.05246569 |
| 5 | 5s | 16.079957 | -.01105219 |
| 6 | 4s | 2.959438 | .01094348 |
| 7 | 2s | 15.971430 | .00204474 |
| 8 | 3s | 54.820830 | -.00013767 |
| 9 | 4s | 88.544549 | .00003970 |
| 10 | 5s | 2.576729 | .00125403 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .529710 | < R2 > | .330148 | < 1/R > | 2.749348 | < 1/R**2 > | 30.905203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.229098 | .91022582 |
| 2 | 1s | 18.989634 | .08511460 |
| 3 | 2s | 5.900227 | .02961562 |
| 4 | 3s | 4.484960 | -.04573915 |
| 5 | 4s | 5.117962 | .03269591 |
| 6 | 5s | 34.520015 | .00105329 |
| 7 | 4s | 10.663306 | -.00556485 |
| 8 | 5s | 2.370527 | -.00018566 |
| 9 | 3s | 62.821296 | -.00004975 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111189 | < R2 > | .016611 | < 1/R > | 13.599370 | < 1/R**2 > | 373.147316 |
Total Energy= -274.59418382 a.u.
Kinetic Energy= 274.55659608 a.u.
Potential Energy= -549.15077990 a.u.
Virial Ratio = -2.00013690