(1s 2 2s 2 2p 2 4p 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 4p- electron | |
| 1 | 2p | 6.434030 | .24891542 |
| 2 | 3p | 1.943996 | -.50537184 |
| 3 | 5p | 2.343174 | 1.36575267 |
| 4 | 4p | 3.518479 | -.64208962 |
| 5 | 5p | 8.045722 | .02438366 |
| 6 | 4p | 18.851514 | -.00261852 |
| 7 | 5p | 2.057619 | .22326430 |
| 8 | 4p | 62.269316 | -.00006484 |
| 9 | 5p | 40.730487 | -.00030741 |
| ORB.ENERGY,a.u. | -2.248000 | ||
| NORM | .999999 | < R > | 2.559989 | < R2 > | 7.411330 | < 1/R > | .552177 | < 1/R**2 > | .863858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.327180 | 1.18206375 |
| 2 | 3p | 6.348553 | -.20205032 |
| 3 | 2p | 13.958663 | .01732917 |
| 4 | 4p | 16.304698 | .00429485 |
| 5 | 5p | 26.150943 | -.00074163 |
| 6 | 5p | 1.937940 | -.00045198 |
| 7 | 4p | 77.804487 | .00001086 |
| ORB.ENERGY,a.u. | -12.377000 | ||
| NORM | 1.000000 | < R > | .446471 | < R2 > | .242457 | < 1/R > | 2.847578 | < 1/R**2 > | 11.048729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.198872 | .40133387 |
| 2 | 2s | 5.949615 | -.84525835 |
| 3 | 3s | 6.161862 | -.27696395 |
| 4 | 4s | 23.604511 | .00230070 |
| 5 | 3s | 12.967311 | .01897941 |
| 6 | 5s | 6.180766 | -.03695789 |
| 7 | 4s | 1.704533 | .00016083 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507168 | < R2 > | .301820 | < 1/R > | 2.881768 | < 1/R**2 > | 33.744994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161132 | .92629917 |
| 2 | 1s | 20.405008 | .07280768 |
| 3 | 2s | 12.133462 | .01942301 |
| 4 | 3s | 15.606833 | -.01547387 |
| 5 | 5s | 32.746403 | .00104669 |
| 6 | 4s | 78.217251 | -.00004031 |
| 7 | 5s | 10.456121 | .00042672 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110802 | < R2 > | .016468 | < 1/R > | 13.629062 | < 1/R**2 > | 374.405560 |
Total Energy= -253.69837157 a.u.
Kinetic Energy= 253.70910847 a.u.
Potential Energy= -507.40748005 a.u.
Virial Ratio = -1.99995768