(1s 2 2s 2 2p 3 5p 1 ) 3 P Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 3.574829 | .26018360 |
| 2 | 3p | 1.790804 | -2.67753792 |
| 3 | 4p | 1.622032 | 5.61638812 |
| 4 | 5p | 1.474606 | -3.76449115 |
| 5 | 2p | 8.265022 | .04178327 |
| 6 | 5p | 25.475147 | -.00039773 |
| 7 | 4p | 36.220859 | -.00012804 |
| 8 | 5p | 1.170282 | -.01515225 |
| ORB.ENERGY,a.u. | -1.085500 | ||
| NORM | .999999 | < R > | 4.708753 | < R2 > | 24.925953 | < 1/R > | .300320 | < 1/R**2 > | .304725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.283550 | 1.34184890 |
| 2 | 3p | 6.874514 | -.42274630 |
| 3 | 4p | 8.616485 | .07741415 |
| 4 | 5p | 1.809278 | .08291255 |
| 5 | 4p | 1.501954 | -.10780719 |
| 6 | 4p | 21.407774 | -.00196551 |
| 7 | 3p | 23.053927 | -.00080015 |
| 8 | 3p | 1.540225 | .02805096 |
| ORB.ENERGY,a.u. | -10.844000 | ||
| NORM | 1.000000 | < R > | .462299 | < R2 > | .261899 | < 1/R > | 2.763811 | < 1/R**2 > | 10.465097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.218304 | .38999290 |
| 2 | 2s | 5.856380 | -.85111676 |
| 3 | 3s | 5.567013 | -.28579874 |
| 4 | 4s | 23.349959 | .00217513 |
| 5 | 3s | 13.294579 | .01631294 |
| 6 | 5s | 5.670758 | -.01432092 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .519793 | < R2 > | .317841 | < 1/R > | 2.808007 | < 1/R**2 > | 32.160316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.170688 | .92666345 |
| 2 | 1s | 20.338321 | .07189532 |
| 3 | 2s | 11.809513 | .01817591 |
| 4 | 3s | 16.614615 | -.01485315 |
| 5 | 4s | 25.866236 | .00300487 |
| 6 | 5s | 48.111218 | .00008445 |
| 7 | 5s | 10.137094 | .00070763 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111002 | < R2 > | .016541 | < 1/R > | 13.613585 | < 1/R**2 > | 373.749375 |
Total Energy= -263.72478267 a.u.
Kinetic Energy= 263.71395930 a.u.
Potential Energy= -527.43874197 a.u.
Virial Ratio = -2.00004104