(1s 2 2s 2 2p 5 4d 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.365413 | 1.58753164 |
| 2 | 4d | 1.247352 | -2.08249649 |
| 3 | 3d | 6.443160 | .00772343 |
| 4 | 4d | 3.703877 | .00542145 |
| 5 | 5d | 14.812007 | -.00013859 |
| ORB.ENERGY,a.u. | -.787000 | ||
| NORM | 1.000000 | < R > | 4.159285 | < R2 > | 19.805758 | < 1/R > | .317927 | < 1/R**2 > | .164916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.371415 | 1.25486559 |
| 2 | 3p | 5.191754 | -.33664396 |
| 3 | 2p | 10.479349 | .07849947 |
| 4 | 4p | 12.434831 | .01548192 |
| 5 | 5p | 76.419619 | .00001281 |
| 6 | 5p | 2.276557 | .00054472 |
| ORB.ENERGY,a.u. | -7.082200 | ||
| NORM | 1.000000 | < R > | .506401 | < R2 > | .317793 | < 1/R > | 2.565307 | < 1/R**2 > | 9.182897 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.396905 | .36119351 |
| 2 | 2s | 5.640141 | -.83044713 |
| 3 | 3s | 4.901580 | -.30194509 |
| 4 | 4s | 17.694873 | .00471179 |
| 5 | 3s | 16.457555 | .00657087 |
| 6 | 5s | 35.222491 | .00035361 |
| 7 | 5s | 4.564140 | -.00268344 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547191 | < R2 > | .354619 | < 1/R > | 2.663694 | < 1/R**2 > | 29.157305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199627 | .91834364 |
| 2 | 1s | 19.516287 | .07854751 |
| 3 | 2s | 7.793501 | .02028920 |
| 4 | 3s | 9.786742 | -.02091446 |
| 5 | 4s | 12.344775 | .01064311 |
| 6 | 5s | 33.437143 | .00088499 |
| 7 | 4s | 77.685212 | -.00003830 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111307 | < R2 > | .016654 | < 1/R > | 13.590460 | < 1/R**2 > | 372.775094 |
Total Energy= -279.91113057 a.u.
Kinetic Energy= 279.88898586 a.u.
Potential Energy= -559.80011643 a.u.
Virial Ratio = -2.00007912