(1s 2 2s 2 2p 4 5p 1 ) 2 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 3.332578 | .21689644 |
| 2 | 3p | 1.616281 | -2.24798707 |
| 3 | 4p | 1.430074 | 4.81914722 |
| 4 | 5p | 1.272069 | -3.32965296 |
| 5 | 2p | 8.160357 | .03691875 |
| 6 | 4p | 32.358007 | -.00017585 |
| 7 | 5p | 22.380832 | -.00049231 |
| 8 | 2p | .767504 | -.04314893 |
| ORB.ENERGY,a.u. | -.812150 | ||
| NORM | .999999 | < R > | 5.393384 | < R2 > | 32.699363 | < 1/R > | .259252 | < 1/R**2 > | .220076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.606580 | 1.04151130 |
| 2 | 3p | 5.216363 | -.16492923 |
| 3 | 2p | 8.812645 | .14948110 |
| 4 | 4p | 14.698499 | -.00632660 |
| 5 | 5p | 1.693107 | .05345211 |
| 6 | 4p | 1.304203 | -.04585207 |
| 7 | 3p | 18.696309 | -.00459000 |
| 8 | 3p | 26.717073 | .00043335 |
| 9 | 3p | .858696 | -.00837843 |
| ORB.ENERGY,a.u. | -8.697900 | ||
| NORM | 1.000000 | < R > | .483944 | < R2 > | .289871 | < 1/R > | 2.662283 | < 1/R**2 > | 9.797772 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.310464 | .37517115 |
| 2 | 2s | 5.729759 | -.84754836 |
| 3 | 3s | 5.081067 | -.30041932 |
| 4 | 4s | 16.574403 | .00778317 |
| 5 | 3s | 17.742154 | .00596069 |
| 6 | 5s | 32.870172 | .00056045 |
| 7 | 5s | 6.099802 | .00936758 |
| 8 | 4s | 2.028153 | .00003941 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533155 | < R2 > | .335425 | < 1/R > | 2.735036 | < 1/R**2 > | 30.624812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204509 | .91772367 |
| 2 | 1s | 19.462893 | .07932033 |
| 3 | 2s | 8.033735 | .01970597 |
| 4 | 3s | 9.919858 | -.01994394 |
| 5 | 4s | 12.301220 | .00938449 |
| 6 | 5s | 33.566830 | .00092636 |
| 7 | 4s | 80.706148 | -.00003696 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111170 | < R2 > | .016603 | < 1/R > | 13.600762 | < 1/R**2 > | 373.207830 |
Total Energy= -272.44296210 a.u.
Kinetic Energy= 272.42813837 a.u.
Potential Energy= -544.87110047 a.u.
Virial Ratio = -2.00005441