(1s 2 2s 2 2p 2 4d 1 ) 4 F Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 2.519845 | 1.05640344 |
| 2 | 4d | 1.999715 | -1.59203376 |
| 3 | 3d | 5.371825 | .07202485 |
| 4 | 4d | 6.544849 | -.01661755 |
| 5 | 5d | 1.587519 | .03235244 |
| 6 | 5d | 20.082642 | -.00043654 |
| 7 | 4d | 1.286265 | -.01586038 |
| 8 | 4d | 32.504815 | -.00004100 |
| ORB.ENERGY,a.u. | -2.094400 | ||
| NORM | 1.000000 | < R > | 2.485762 | < R2 > | 7.084928 | < 1/R > | .537335 | < 1/R**2 > | .484297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.341141 | 1.18145149 |
| 2 | 3p | 6.441734 | -.19933073 |
| 3 | 2p | 14.249773 | .01563043 |
| 4 | 4p | 16.698222 | .00434644 |
| 5 | 5p | 25.709844 | -.00085646 |
| 6 | 5p | 2.396101 | -.00048284 |
| 7 | 4p | 71.411560 | .00001503 |
| ORB.ENERGY,a.u. | -12.379000 | ||
| NORM | 1.000000 | < R > | .447174 | < R2 > | .243230 | < 1/R > | 2.843576 | < 1/R**2 > | 11.020721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234536 | .39950185 |
| 2 | 2s | 5.921533 | -.84519689 |
| 3 | 3s | 6.106755 | -.27716932 |
| 4 | 4s | 22.785165 | .00236816 |
| 5 | 3s | 13.697892 | .01515683 |
| 6 | 5s | 6.088773 | -.02997422 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507090 | < R2 > | .301740 | < 1/R > | 2.882315 | < 1/R**2 > | 33.755914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626539 |
| 2 | 1s | 20.402330 | .07282347 |
| 3 | 2s | 12.174854 | .01939746 |
| 4 | 3s | 15.601946 | -.01547442 |
| 5 | 5s | 32.813955 | .00104571 |
| 6 | 4s | 78.146167 | -.00004119 |
| 7 | 5s | 10.226888 | .00045627 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110785 | < R2 > | .016462 | < 1/R > | 13.630527 | < 1/R**2 > | 374.469580 |
Total Energy= -253.53307649 a.u.
Kinetic Energy= 253.55671472 a.u.
Potential Energy= -507.08979121 a.u.
Virial Ratio = -1.99990677