(1s 2 2s 2 2p 2 3s 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 11.236309 | .18286609 |
| 2 | 2s | 4.211290 | -.90717496 |
| 3 | 3s | 3.085375 | 1.45442664 |
| 4 | 4s | 9.579310 | -.03427937 |
| 5 | 5s | 16.225499 | -.00561758 |
| 6 | 4s | 59.264391 | -.00002131 |
| 7 | 5s | 3.318662 | .00698236 |
| ORB.ENERGY,a.u. | -4.610500 | ||
| NORM | 1.000000 | < R > | 1.317412 | < R2 > | 1.970006 | < 1/R > | 1.088886 | < 1/R**2 > | 7.214500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.232538 | 1.19566611 |
| 2 | 3p | 6.069314 | -.22425574 |
| 3 | 2p | 13.187495 | .02329513 |
| 4 | 4p | 14.553210 | .00484964 |
| 5 | 5p | 30.398637 | -.00029574 |
| 6 | 5p | 4.109210 | .00135581 |
| ORB.ENERGY,a.u. | -12.040000 | ||
| NORM | 1.000000 | < R > | .448167 | < R2 > | .244552 | < 1/R > | 2.838805 | < 1/R**2 > | 10.986331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.902432 | .41607684 |
| 2 | 2s | 6.079915 | -.88185811 |
| 3 | 3s | 5.624559 | -.29586970 |
| 4 | 4s | 23.925751 | .00241409 |
| 5 | 3s | 12.195727 | .02947472 |
| 6 | 5s | 4.142958 | -.01092859 |
| 7 | 4s | 2.421523 | -.00078722 |
| 8 | 3s | 36.561236 | .00002737 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .510293 | < R2 > | .306522 | < 1/R > | 2.868378 | < 1/R**2 > | 33.480893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165133 | .92648241 |
| 2 | 1s | 20.330772 | .07292894 |
| 3 | 2s | 11.739953 | .01920801 |
| 4 | 3s | 15.260602 | -.01545819 |
| 5 | 5s | 32.702501 | .00097011 |
| 6 | 4s | 75.170945 | -.00004826 |
| 7 | 5s | 3.846196 | .00041173 |
| 8 | 3s | 4.742086 | .00025836 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110784 | < R2 > | .016462 | < 1/R > | 13.630329 | < 1/R**2 > | 374.454409 |
Total Energy= -256.03372412 a.u.
Kinetic Energy= 256.06368684 a.u.
Potential Energy= -512.09741096 a.u.
Virial Ratio = -1.99988299