(1s 2 2s 2 2p 2 3d 1 ) 4 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 2.763096 | 1.08427514 |
| 2 | 3d | 6.599581 | .02618579 |
| 3 | 4d | 3.280171 | -.09966251 |
| 4 | 5d | 15.738404 | -.00019145 |
| 5 | 4d | 39.998028 | .00001934 |
| ORB.ENERGY,a.u. | -3.692900 | ||
| NORM | 1.000000 | < R > | 1.240580 | < R2 > | 1.772616 | < 1/R > | .951156 | < 1/R**2 > | 1.104078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.322091 | 1.18817982 |
| 2 | 3p | 6.379038 | -.20714604 |
| 3 | 2p | 14.025227 | .01658252 |
| 4 | 4p | 16.409047 | .00379982 |
| 5 | 5p | 27.093276 | -.00065245 |
| 6 | 5p | 3.257954 | -.00016241 |
| 7 | 4p | 82.944460 | .00000794 |
| ORB.ENERGY,a.u. | -11.869000 | ||
| NORM | 1.000000 | < R > | .447326 | < R2 > | .243463 | < 1/R > | 2.843169 | < 1/R**2 > | 11.018936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.233057 | .39871122 |
| 2 | 2s | 5.918626 | -.84488713 |
| 3 | 3s | 6.074353 | -.27736146 |
| 4 | 4s | 22.714342 | .00237974 |
| 5 | 3s | 13.757364 | .01486359 |
| 6 | 5s | 5.899954 | -.03095344 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508377 | < R2 > | .303511 | < 1/R > | 2.875762 | < 1/R**2 > | 33.618638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626757 |
| 2 | 1s | 20.402668 | .07282243 |
| 3 | 2s | 12.175809 | .01939538 |
| 4 | 3s | 15.603154 | -.01547402 |
| 5 | 5s | 32.828254 | .00104547 |
| 6 | 4s | 78.089133 | -.00004078 |
| 7 | 5s | 10.189759 | .00046172 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110785 | < R2 > | .016462 | < 1/R > | 13.630562 | < 1/R**2 > | 374.471420 |
Total Energy= -255.17435791 a.u.
Kinetic Energy= 255.15533639 a.u.
Potential Energy= -510.32969430 a.u.
Virial Ratio = -2.00007455