(1s 2 2s 2 2p 2 4d 1 ) 4 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 2.483001 | 1.08732248 |
| 2 | 4d | 1.992405 | -1.61840711 |
| 3 | 3d | 5.400399 | .07100303 |
| 4 | 4d | 6.454757 | -.01743777 |
| 5 | 5d | 1.576328 | .03410452 |
| 6 | 5d | 20.078676 | -.00046528 |
| 7 | 4d | 32.704476 | -.00004482 |
| 8 | 4d | 1.298229 | -.01894752 |
| ORB.ENERGY,a.u. | -2.079800 | ||
| NORM | 1.000000 | < R > | 2.501644 | < R2 > | 7.178507 | < 1/R > | .534479 | < 1/R**2 > | .479519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.344528 | 1.18190932 |
| 2 | 3p | 6.456620 | -.19957740 |
| 3 | 2p | 14.228904 | .01551365 |
| 4 | 4p | 16.412992 | .00406959 |
| 5 | 5p | 26.046497 | -.00070057 |
| 6 | 5p | 2.423609 | -.00051017 |
| 7 | 4p | 72.056919 | .00001302 |
| ORB.ENERGY,a.u. | -12.364000 | ||
| NORM | 1.000000 | < R > | .447107 | < R2 > | .243157 | < 1/R > | 2.844003 | < 1/R**2 > | 11.023955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234530 | .39950613 |
| 2 | 2s | 5.921538 | -.84520460 |
| 3 | 3s | 6.107159 | -.27716045 |
| 4 | 4s | 22.786278 | .00236746 |
| 5 | 3s | 13.695613 | .01516899 |
| 6 | 5s | 6.088095 | -.02999087 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507087 | < R2 > | .301737 | < 1/R > | 2.882339 | < 1/R**2 > | 33.756529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626508 |
| 2 | 1s | 20.402081 | .07282433 |
| 3 | 2s | 12.173876 | .01939781 |
| 4 | 3s | 15.601853 | -.01547444 |
| 5 | 5s | 32.807833 | .00104577 |
| 6 | 4s | 78.157097 | -.00004137 |
| 7 | 5s | 10.223848 | .00045558 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110785 | < R2 > | .016462 | < 1/R > | 13.630512 | < 1/R**2 > | 374.468899 |
Total Energy= -253.53326780 a.u.
Kinetic Energy= 253.54213894 a.u.
Potential Energy= -507.07540675 a.u.
Virial Ratio = -1.99996501