(1s 2 2s 1 3d 1 ) 1 D Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 3.663638 | .99743412 |
| 2 | 3d | 8.360967 | .01238003 |
| 3 | 4d | 8.191155 | -.00581651 |
| 4 | 5d | 24.820020 | -.00040900 |
| 5 | 4d | 42.755180 | -.00003628 |
| ORB.ENERGY,a.u. | -6.716800 | ||
| NORM | 1.000000 | < R > | .952642 | < R2 > | 1.038625 | < 1/R > | 1.227779 | < 1/R**2 > | 1.817052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.587762 | .41463032 |
| 2 | 2s | 5.937523 | -.79554585 |
| 3 | 3s | 7.195185 | -.29983904 |
| 4 | 5s | 12.672700 | -.02853078 |
| 5 | 4s | 26.426259 | .00427484 |
| 6 | 5s | 35.990039 | -.00094037 |
| 7 | 4s | 2.387036 | .00004938 |
| 8 | 3s | 62.224060 | .00002690 |
| ORB.ENERGY,a.u. | -17.942000 | ||
| NORM | 1.000000 | < R > | .471974 | < R2 > | .259912 | < 1/R > | 3.122760 | < 1/R**2 > | 39.340097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.409011 | .93592881 |
| 2 | 1s | 21.367504 | .05202752 |
| 3 | 2s | 16.488215 | .01652013 |
| 4 | 3s | 9.626992 | .00172057 |
| 5 | 4s | 56.639317 | -.00048908 |
| 6 | 5s | 75.889469 | .00017925 |
| 7 | 5s | 6.690829 | .00012410 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110258 | < R2 > | .016277 | < 1/R > | 13.674376 | < 1/R**2 > | 376.385109 |
Total Energy= -213.65884447 a.u.
Kinetic Energy= 213.25320280 a.u.
Potential Energy= -426.91204727 a.u.
Virial Ratio = -2.00190216