(1s 2 2s 2 2p 2 5s 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 10.934648 | .07977529 |
| 2 | 2s | 3.900785 | -.50809226 |
| 3 | 3s | 2.167165 | 2.94488765 |
| 4 | 4s | 1.922382 | -5.63142313 |
| 5 | 5s | 1.718020 | 3.67917033 |
| 6 | 5s | 13.374914 | -.00520122 |
| 7 | 4s | 26.672724 | .00040586 |
| ORB.ENERGY,a.u. | -1.480000 | ||
| NORM | 1.000000 | < R > | 4.068898 | < R2 > | 18.525517 | < 1/R > | .355937 | < 1/R**2 > | 1.275229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.322319 | 1.17455192 |
| 2 | 3p | 6.358745 | -.19453079 |
| 3 | 2p | 13.838832 | .01863119 |
| 4 | 4p | 15.843791 | .00596758 |
| 5 | 5p | 23.891052 | -.00094754 |
| 6 | 5p | 6.248545 | -.00277457 |
| 7 | 4p | 63.604145 | .00002469 |
| ORB.ENERGY,a.u. | -12.583000 | ||
| NORM | 1.000000 | < R > | .446386 | < R2 > | .242309 | < 1/R > | 2.847548 | < 1/R**2 > | 11.046920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.923496 | .41703578 |
| 2 | 2s | 6.079748 | -.88024963 |
| 3 | 3s | 5.667212 | -.29432159 |
| 4 | 4s | 23.800790 | .00227349 |
| 5 | 3s | 12.446852 | .02719858 |
| 6 | 5s | 8.028928 | -.00325253 |
| 7 | 4s | 1.962952 | .02768030 |
| 8 | 3s | 1.509136 | -.02847879 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506686 | < R2 > | .301253 | < 1/R > | 2.884699 | < 1/R**2 > | 33.809214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162115 | .92614388 |
| 2 | 1s | 20.375658 | .07303685 |
| 3 | 2s | 12.031877 | .01945441 |
| 4 | 3s | 15.475290 | -.01556694 |
| 5 | 5s | 32.715437 | .00100541 |
| 6 | 4s | 76.327633 | -.00004525 |
| 7 | 5s | 10.329297 | .00034297 |
| 8 | 3s | 1.437560 | .00195969 |
| 9 | 4s | 1.920058 | -.00192763 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110787 | < R2 > | .016463 | < 1/R > | 13.630326 | < 1/R**2 > | 374.459459 |
Total Energy= -252.93632389 a.u.
Kinetic Energy= 252.94054439 a.u.
Potential Energy= -505.87686828 a.u.
Virial Ratio = -1.99998331