(1s 2 2s 2 2p 1 3s 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 11.053372 | .19875181 |
| 2 | 2s | 4.052434 | -1.12837213 |
| 3 | 3s | 3.360936 | 1.68909979 |
| 4 | 4s | 8.858058 | -.04910690 |
| 5 | 5s | 15.930987 | -.00830298 |
| 6 | 5s | 3.049257 | .00377090 |
| 7 | 4s | 68.085598 | -.00001374 |
| ORB.ENERGY,a.u. | -5.483400 | ||
| NORM | 1.000000 | < R > | 1.245119 | < R2 > | 1.757185 | < 1/R > | 1.155332 | < 1/R**2 > | 8.053690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.664716 | 1.08377861 |
| 2 | 3p | 6.938506 | -.10069390 |
| 3 | 2p | 14.021758 | .01474561 |
| 4 | 5p | 16.492426 | .00218396 |
| 5 | 4p | 28.537643 | -.00032597 |
| 6 | 5p | 5.546314 | .01075631 |
| 7 | 5p | 93.620120 | -.00000302 |
| 8 | 4p | 5.187152 | -.00297207 |
| ORB.ENERGY,a.u. | -13.820000 | ||
| NORM | 1.000000 | < R > | .433011 | < R2 > | .227374 | < 1/R > | 2.924409 | < 1/R**2 > | 11.596010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.427257 | .35175269 |
| 2 | 2s | 4.786500 | -.83055721 |
| 3 | 3s | 7.782405 | -.31742666 |
| 4 | 4s | 5.461033 | .10179964 |
| 5 | 5s | 16.080003 | -.01121096 |
| 6 | 5s | 3.379933 | -.00286577 |
| 7 | 3s | 52.012682 | -.00017295 |
| 8 | 4s | 84.778900 | .00004673 |
| 9 | 2s | 1.402836 | .00097094 |
| 10 | 3s | 1.155962 | -.00021059 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496445 | < R2 > | .289046 | < 1/R > | 2.951368 | < 1/R**2 > | 35.285279 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162293 | .92166677 |
| 2 | 1s | 19.745821 | .07965731 |
| 3 | 2s | 11.293634 | .01285032 |
| 4 | 3s | 14.318229 | -.01164569 |
| 5 | 4s | 82.144623 | -.00003198 |
| 6 | 5s | 33.889357 | .00102835 |
| 7 | 5s | 4.475750 | .00025277 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110556 | < R2 > | .016379 | < 1/R > | 13.648393 | < 1/R**2 > | 375.224658 |
Total Energy= -244.01391024 a.u.
Kinetic Energy= 244.02979257 a.u.
Potential Energy= -488.04370281 a.u.
Virial Ratio = -1.99993492