(1s 2 2s 2 2p 5 3d 1 ) 3 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.730183 | 1.11056555 |
| 2 | 3d | 4.785913 | .05077860 |
| 3 | 4d | 2.105059 | -.13170848 |
| 4 | 5d | 7.031714 | -.00643417 |
| 5 | 4d | 10.299420 | .00041508 |
| 6 | 3d | 14.508866 | .00020926 |
| ORB.ENERGY,a.u. | -1.435100 | ||
| NORM | 1.000000 | < R > | 1.968012 | < R2 > | 4.485237 | < 1/R > | .606049 | < 1/R**2 > | .457800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.269475 | 1.27929043 |
| 2 | 3p | 5.011130 | -.37164167 |
| 3 | 2p | 10.275353 | .08789759 |
| 4 | 4p | 12.213940 | .01703504 |
| 5 | 5p | 82.264869 | .00001036 |
| 6 | 5p | 3.037762 | .01153644 |
| 7 | 4p | 2.713326 | -.01264899 |
| ORB.ENERGY,a.u. | -6.773100 | ||
| NORM | 1.000000 | < R > | .507611 | < R2 > | .319726 | < 1/R > | 2.561678 | < 1/R**2 > | 9.163087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.388210 | .36137337 |
| 2 | 2s | 5.645236 | -.83106534 |
| 3 | 3s | 4.884670 | -.30266773 |
| 4 | 4s | 17.187786 | .00519009 |
| 5 | 3s | 16.690506 | .00652862 |
| 6 | 5s | 33.993025 | .00042537 |
| 7 | 5s | 4.170179 | -.00290871 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547704 | < R2 > | .355441 | < 1/R > | 2.661784 | < 1/R**2 > | 29.121442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199949 | .91833700 |
| 2 | 1s | 19.514403 | .07855260 |
| 3 | 2s | 7.793783 | .02028369 |
| 4 | 3s | 9.787593 | -.02091292 |
| 5 | 4s | 12.348445 | .01063663 |
| 6 | 5s | 33.468005 | .00088860 |
| 7 | 4s | 77.649501 | -.00003843 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111304 | < R2 > | .016653 | < 1/R > | 13.590685 | < 1/R**2 > | 372.784814 |
Total Energy= -280.55617312 a.u.
Kinetic Energy= 280.53721575 a.u.
Potential Energy= -561.09338887 a.u.
Virial Ratio = -2.00006758