(1s 2 2s 2 2p 2 3p 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 4.516370 | .69549804 |
| 2 | 3p | 2.928792 | -1.30941297 |
| 3 | 2p | 11.789865 | .02379505 |
| 4 | 4p | 7.441422 | -.06562202 |
| 5 | 5p | 17.512798 | .00234057 |
| 6 | 5p | 4.725156 | .03982928 |
| ORB.ENERGY,a.u. | -4.202000 | ||
| NORM | 1.000000 | < R > | 1.323246 | < R2 > | 2.004647 | < 1/R > | 1.028730 | < 1/R**2 > | 2.226235 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.123102 | 1.27146726 |
| 2 | 3p | 5.943786 | -.29523597 |
| 3 | 2p | 13.292184 | .02231451 |
| 4 | 4p | 14.878590 | .00440200 |
| 5 | 5p | 30.309401 | -.00031443 |
| 6 | 5p | 4.129980 | .02246872 |
| 7 | 4p | 3.890922 | -.02990413 |
| ORB.ENERGY,a.u. | -11.956000 | ||
| NORM | 1.000000 | < R > | .447777 | < R2 > | .244337 | < 1/R > | 2.842822 | < 1/R**2 > | 11.020386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.258399 | .39701940 |
| 2 | 2s | 5.893528 | -.84531801 |
| 3 | 3s | 6.072603 | -.27733188 |
| 4 | 4s | 22.869779 | .00231151 |
| 5 | 3s | 13.670404 | .01488089 |
| 6 | 5s | 5.792559 | -.02807076 |
| 7 | 4s | 2.132395 | -.00009460 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508726 | < R2 > | .303903 | < 1/R > | 2.873338 | < 1/R**2 > | 33.566455 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159179 | .92706687 |
| 2 | 1s | 20.476762 | .07206002 |
| 3 | 2s | 12.263232 | .01938172 |
| 4 | 3s | 15.693394 | -.01542246 |
| 5 | 5s | 32.602039 | .00095550 |
| 6 | 4s | 74.280705 | -.00004990 |
| 7 | 5s | 11.412108 | .00055381 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110827 | < R2 > | .016477 | < 1/R > | 13.626971 | < 1/R**2 > | 374.315196 |
Total Energy= -255.62524710 a.u.
Kinetic Energy= 255.66155449 a.u.
Potential Energy= -511.28680159 a.u.
Virial Ratio = -1.99985799