(1s 2 2s 2 2p 5 3p 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 4.053684 | .43861518 |
| 2 | 3p | 2.024379 | -1.10035137 |
| 3 | 4p | 6.313330 | -.07677665 |
| 4 | 2p | 10.043287 | .03851822 |
| 5 | 5p | 16.811008 | .00202587 |
| 6 | 5p | 1.282597 | -.00548152 |
| 7 | 3p | 30.349377 | -.00002542 |
| 8 | 3p | .954558 | .00652026 |
| ORB.ENERGY,a.u. | -1.901600 | ||
| NORM | 1.000000 | < R > | 1.816188 | < R2 > | 3.766742 | < 1/R > | .730621 | < 1/R**2 > | 1.164624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.297223 | 1.25994796 |
| 2 | 3p | 5.039113 | -.35176732 |
| 3 | 2p | 10.301793 | .08688742 |
| 4 | 4p | 12.279949 | .01662394 |
| 5 | 5p | 79.312704 | .00001123 |
| 6 | 5p | 3.121042 | .00087163 |
| ORB.ENERGY,a.u. | -6.737700 | ||
| NORM | 1.000000 | < R > | .507855 | < R2 > | .319911 | < 1/R > | 2.559864 | < 1/R**2 > | 9.149537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.402280 | .36018278 |
| 2 | 2s | 5.632758 | -.82980691 |
| 3 | 3s | 4.887318 | -.30203861 |
| 4 | 4s | 17.553877 | .00444309 |
| 5 | 3s | 16.264334 | .00690429 |
| 6 | 5s | 34.731084 | .00038292 |
| 7 | 5s | 4.119639 | -.00385009 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .548431 | < R2 > | .356439 | < 1/R > | 2.658037 | < 1/R**2 > | 29.044346 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.198304 | .91859109 |
| 2 | 1s | 19.536918 | .07831148 |
| 3 | 2s | 7.811608 | .02030335 |
| 4 | 3s | 9.763113 | -.02096063 |
| 5 | 4s | 12.273588 | .01076758 |
| 6 | 5s | 33.395070 | .00082351 |
| 7 | 4s | 74.841298 | -.00004374 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111323 | < R2 > | .016660 | < 1/R > | 13.589132 | < 1/R**2 > | 372.718294 |
Total Energy= -281.01620195 a.u.
Kinetic Energy= 281.00279601 a.u.
Potential Energy= -562.01899796 a.u.
Virial Ratio = -2.00004771