(1s 2 2s 2 2p 6 ) 1 S Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 4.236586 | 1.25853880 |
| 2 | 3p | 5.175687 | -.34448005 |
| 3 | 2p | 10.314545 | .08152604 |
| 4 | 4p | 12.178656 | .01581466 |
| 5 | 5p | 4.087797 | .01282833 |
| 6 | 4p | 3.809691 | -.00088301 |
| 7 | 4p | 65.862255 | .00001231 |
| ORB.ENERGY,a.u. | -6.079100 | ||
| NORM | 1.000000 | < R > | .530590 | < R2 > | .351861 | < 1/R > | 2.471610 | < 1/R**2 > | 8.608437 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.487813 | .34776305 |
| 2 | 2s | 5.551334 | -.82128793 |
| 3 | 3s | 4.614284 | -.31410419 |
| 4 | 4s | 18.835287 | .00177377 |
| 5 | 3s | 16.033845 | .00958428 |
| 6 | 5s | 3.341067 | -.01277706 |
| 7 | 4s | 3.002039 | .01558663 |
| 8 | 2s | 49.560311 | .00004357 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .561490 | < R2 > | .374874 | < 1/R > | 2.595686 | < 1/R**2 > | 27.788731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.201563 | .91904601 |
| 2 | 1s | 19.697227 | .07665694 |
| 3 | 2s | 9.495335 | .01863119 |
| 4 | 3s | 11.547599 | -.01663405 |
| 5 | 4s | 13.197157 | .00988240 |
| 6 | 5s | 33.409551 | .00066041 |
| 7 | 4s | 6.784857 | .00064194 |
| 8 | 3s | 46.967434 | -.00013413 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.582005 | < 1/R**2 > | 372.421347 |
Total Energy= -285.18092980 a.u.
Kinetic Energy= 285.18092838 a.u.
Potential Energy= -570.36185818 a.u.
Virial Ratio = -2.00000000