(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 3 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 12.004132 | .01297348 |
| 2 | 2s | 4.030670 | -.06718203 |
| 3 | 3s | 1.742868 | .14964533 |
| 4 | 4s | .756715 | -.31111036 |
| 5 | 5s | .376536 | .98989746 |
| 6 | 5s | 17.504593 | .00086218 |
| 7 | 3s | .244291 | .17400705 |
| 8 | 4s | 12.591812 | -.00383648 |
| 9 | 2s | 2.272400 | .03537050 |
| 10 | 4s | .603658 | -.36399717 |
| ORB.ENERGY,a.u. | -.050049 | ||
| NORM | .999998 | < R > | 15.162121 | < R2 > | 257.958636 | < 1/R > | .086305 | < 1/R**2 > | .054010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.471750 | .24683818 |
| 2 | 2p | 1.040290 | -.82819507 |
| 3 | 3p | 1.595063 | -.24461243 |
| 4 | 2p | 7.052723 | .09990656 |
| 5 | 3p | 9.848562 | -.00934440 |
| 6 | 4p | .620110 | .00194908 |
| 7 | 4p | 25.620107 | -.00030490 |
| 8 | 5p | 78.724658 | -.00000762 |
| 9 | 5p | .410565 | .00118727 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.481417 | < R2 > | 7.172898 | < 1/R > | .527606 | < 1/R**2 > | .612697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.345353 | 1.39981143 |
| 2 | 1s | 14.205048 | .02773310 |
| 3 | 2s | 4.930598 | -.87031997 |
| 4 | 3s | 1.316914 | .18569651 |
| 5 | 4s | 4.033254 | -.35228346 |
| 6 | 5s | 6.391525 | -.10054005 |
| 7 | 4s | 1.848438 | .20767330 |
| 8 | 3s | 47.757772 | -.00018824 |
| 9 | 4s | 73.859949 | .00006610 |
| 10 | 5s | .310921 | -.00105234 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000001 | < R > | 2.092998 | < R2 > | 5.047376 | < 1/R > | .634418 | < 1/R**2 > | 2.227715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177161 | .48226570 |
| 2 | 3p | 5.436523 | .49334840 |
| 3 | 4p | 4.265014 | .12708978 |
| 4 | 5p | 2.748088 | .00338121 |
| 5 | 2p | 14.231010 | .00945191 |
| 6 | 5p | 31.546662 | -.00045821 |
| 7 | 4p | 45.435712 | -.00008185 |
| 8 | 3p | .805594 | .00009442 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535284 | < R2 > | .359490 | < 1/R > | 2.456846 | < 1/R**2 > | 8.523167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398888 | .35142032 |
| 2 | 2s | 4.934941 | -.77287238 |
| 3 | 3s | 4.398199 | -.16879102 |
| 4 | 4s | 21.967356 | .00177939 |
| 5 | 2s | 6.453830 | -.18123791 |
| 6 | 3s | 14.466034 | .01041126 |
| 7 | 4s | 3.411018 | -.00406892 |
| 8 | 4s | 61.772492 | -.00002054 |
| 9 | 5s | 1.614572 | -.00007436 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562534 | < R2 > | .376638 | < 1/R > | 2.592167 | < 1/R**2 > | 27.725925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577899 | 1.01499683 |
| 2 | 2s | 18.820547 | -.02466567 |
| 3 | 3s | 9.622517 | .02347100 |
| 4 | 4s | 48.634689 | -.00008127 |
| 5 | 4s | 27.356200 | .00097345 |
| 6 | 2s | 69.835041 | .00001915 |
| 7 | 5s | 11.890906 | -.00876317 |
| 8 | 3s | 2.583318 | .00063346 |
| 9 | 4s | 2.957544 | -.00051826 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581450 | < 1/R**2 > | 372.394583 |
Total Energy= -288.62266285 a.u.
Kinetic Energy= 288.62311428 a.u.
Potential Energy= -577.24577714 a.u.
Virial Ratio = -1.99999844