(1s 1 5p 1 ) 1 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 1.764376 | 7.61295561 |
| 2 | 3p | 3.153772 | -7.37772400 |
| 3 | 4p | 2.258967 | 9.57400710 |
| 4 | 5p | 2.460549 | -11.41196915 |
| 5 | 5p | 7.861672 | .01486530 |
| 6 | 4p | 20.238354 | -.00207973 |
| 7 | 5p | 1.833106 | -.22459291 |
| 8 | 5p | 41.310733 | -.00023178 |
| 9 | 3p | 36.876763 | -.00020292 |
| 10 | 4p | 1.245744 | .01256318 |
| ORB.ENERGY,a.u. | -3.633200 | ||
| NORM | .999998 | < R > | 2.812184 | < R2 > | 8.904717 | < 1/R > | .519550 | < 1/R**2 > | .901304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755785 | .88933432 |
| 2 | 1s | 16.405516 | .10551269 |
| 3 | 2s | 15.461943 | .01066841 |
| 4 | 3s | 14.780183 | -.00515879 |
| 5 | 4s | 25.431965 | .00001985 |
| 6 | 5s | 26.851728 | .00000898 |
| ORB.ENERGY,a.u. | -97.713000 |
| NORM | 1.000000 | < R > | .107145 | < R2 > | .015307 | < 1/R > | 14.000027 | < 1/R**2 > | 392.004609 |
Total Energy= -101.39115225 a.u.
Kinetic Energy= 101.37449222 a.u.
Potential Energy= -202.76564447 a.u.
Virial Ratio = -2.00016434