(1s 2 2s 2 2p 5 3d 1 ) 3 F Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 1.755172 | 1.13058792 |
| 2 | 3d | 4.622464 | .06137677 |
| 3 | 4d | 2.099203 | -.15812284 |
| 4 | 5d | 6.741185 | -.00891025 |
| 5 | 4d | 12.576001 | .00041660 |
| 6 | 3d | 16.551349 | .00016039 |
| ORB.ENERGY,a.u. | -1.462400 | ||
| NORM | 1.000000 | < R > | 1.921975 | < R2 > | 4.287612 | < 1/R > | .622325 | < 1/R**2 > | .484227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.261676 | 1.28097543 |
| 2 | 3p | 5.000338 | -.37424481 |
| 3 | 2p | 10.261151 | .08852948 |
| 4 | 4p | 12.195700 | .01716422 |
| 5 | 5p | 82.735948 | .00001015 |
| 6 | 5p | 3.008728 | .01094199 |
| 7 | 4p | 2.684264 | -.01191504 |
| ORB.ENERGY,a.u. | -6.800500 | ||
| NORM | 1.000000 | < R > | .507962 | < R2 > | .320231 | < 1/R > | 2.560386 | < 1/R**2 > | 9.155388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.384447 | .36152948 |
| 2 | 2s | 5.647527 | -.83142015 |
| 3 | 3s | 4.879405 | -.30294300 |
| 4 | 4s | 17.030770 | .00539501 |
| 5 | 3s | 16.760899 | .00651389 |
| 6 | 5s | 33.754285 | .00044743 |
| 7 | 5s | 4.115124 | -.00271352 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547759 | < R2 > | .355531 | < 1/R > | 2.661590 | < 1/R**2 > | 29.117841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199949 | .91834012 |
| 2 | 1s | 19.515360 | .07854902 |
| 3 | 2s | 7.796282 | .02027532 |
| 4 | 3s | 9.789986 | -.02090813 |
| 5 | 4s | 12.349984 | .01063401 |
| 6 | 5s | 33.538385 | .00089050 |
| 7 | 4s | 77.512467 | -.00003689 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111303 | < R2 > | .016653 | < 1/R > | 13.590775 | < 1/R**2 > | 372.788703 |
Total Energy= -280.55608178 a.u.
Kinetic Energy= 280.56460248 a.u.
Potential Energy= -561.12068426 a.u.
Virial Ratio = -1.99996963