(1s 2 2s 2 2p 5 4d 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 1.558660 | 1.07451101 |
| 2 | 4d | 1.267231 | -1.62076973 |
| 3 | 3d | 5.148467 | .04139680 |
| 4 | 4d | 3.571950 | .04697043 |
| 5 | 5d | 8.497764 | -.00139645 |
| 6 | 4d | .953535 | .00896244 |
| 7 | 4d | 32.852419 | .00001927 |
| ORB.ENERGY,a.u. | -.823530 | ||
| NORM | 1.000000 | < R > | 3.927761 | < R2 > | 17.765154 | < 1/R > | .345783 | < 1/R**2 > | .207850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.339465 | 1.25609961 |
| 2 | 3p | 5.129862 | -.34256819 |
| 3 | 2p | 10.374498 | .08262172 |
| 4 | 3p | 40.563310 | .00003146 |
| 5 | 4p | 12.346437 | .01600261 |
| 6 | 5p | 3.078422 | .00064585 |
| 7 | 4p | 1.471328 | -.00025554 |
| ORB.ENERGY,a.u. | -7.118700 | ||
| NORM | 1.000000 | < R > | .507110 | < R2 > | .318842 | < 1/R > | 2.562883 | < 1/R**2 > | 9.168926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.392126 | .36138150 |
| 2 | 2s | 5.642686 | -.83105072 |
| 3 | 3s | 4.892930 | -.30221909 |
| 4 | 4s | 17.434515 | .00495393 |
| 5 | 3s | 16.571752 | .00654654 |
| 6 | 5s | 34.641352 | .00038882 |
| 7 | 5s | 4.541774 | -.00229391 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547273 | < R2 > | .354747 | < 1/R > | 2.663379 | < 1/R**2 > | 29.151197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91834179 |
| 2 | 1s | 19.515832 | .07854821 |
| 3 | 2s | 7.795082 | .02028223 |
| 4 | 3s | 9.788500 | -.02091078 |
| 5 | 4s | 12.347296 | .01063839 |
| 6 | 5s | 33.489361 | .00088765 |
| 7 | 4s | 77.598526 | -.00003761 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111305 | < R2 > | .016654 | < 1/R > | 13.590617 | < 1/R**2 > | 372.781857 |
Total Energy= -279.91587937 a.u.
Kinetic Energy= 279.92558443 a.u.
Potential Energy= -559.84146379 a.u.
Virial Ratio = -1.99996533