(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 1 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1140.
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 | 4s- electron | |
| 1 | 1s | 11.193537 | .02143673 |
| 2 | 2s | 4.989947 | -.06932518 |
| 3 | 3s | 1.583544 | .21219356 |
| 4 | 4s | .562885 | -1.90462123 |
| 5 | 5s | .632940 | .89309475 |
| 6 | 4s | 22.133821 | .00035370 |
| 7 | 5s | 3.639728 | .04321505 |
| ORB.ENERGY,a.u. | -.103570 | ||
| NORM | 1.000000 | < R > | 7.501169 | < R2 > | 63.149542 | < 1/R > | .161450 | < 1/R**2 > | .124561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.245359 | .25888031 |
| 2 | 2p | 1.240717 | -.70392359 |
| 3 | 3p | 1.281514 | -.38832818 |
| 4 | 2p | 6.383902 | .13727404 |
| 5 | 3p | 8.118008 | -.02672644 |
| 6 | 4p | .883636 | -.04925348 |
| 7 | 5p | 25.179573 | -.00065079 |
| 8 | 4p | 36.997742 | -.00016821 |
| 9 | 5p | .868357 | .03059103 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.466089 | < R2 > | 7.056058 | < 1/R > | .529332 | < 1/R**2 > | .615305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.148437 | 1.57039296 |
| 2 | 1s | 13.663908 | .03442245 |
| 3 | 2s | 4.814585 | -.85700139 |
| 4 | 3s | .458600 | -.00429905 |
| 5 | 4s | 3.841594 | -.33839827 |
| 6 | 5s | 6.165021 | -.11344276 |
| 7 | 4s | 1.724286 | .15003657 |
| 8 | 3s | 48.175243 | -.00021694 |
| 9 | 4s | 74.088718 | .00007859 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.090396 | < R2 > | 5.030170 | < 1/R > | .634884 | < 1/R**2 > | 2.230404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177553 | .48216197 |
| 2 | 3p | 5.436559 | .49345205 |
| 3 | 4p | 4.263349 | .12714840 |
| 4 | 5p | 2.737523 | .00341608 |
| 5 | 2p | 14.230026 | .00945194 |
| 6 | 5p | 31.545911 | -.00045903 |
| 7 | 4p | 45.463421 | -.00008190 |
| 8 | 3p | .801307 | .00005682 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535343 | < R2 > | .359587 | < 1/R > | 2.456665 | < 1/R**2 > | 8.522131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398521 | .35143381 |
| 2 | 2s | 4.935366 | -.77287243 |
| 3 | 3s | 4.397285 | -.16880397 |
| 4 | 4s | 22.020793 | .00178109 |
| 5 | 2s | 6.453208 | -.18126182 |
| 6 | 3s | 14.443373 | .01044128 |
| 7 | 4s | 3.428119 | -.00406581 |
| 8 | 4s | 61.835615 | -.00001992 |
| 9 | 5s | 2.184174 | -.00010606 |
| 10 | 3s | .390965 | .00006214 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562546 | < R2 > | .376658 | < 1/R > | 2.592134 | < 1/R**2 > | 27.725403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577894 | 1.01499699 |
| 2 | 2s | 18.820558 | -.02466584 |
| 3 | 3s | 9.622434 | .02347128 |
| 4 | 4s | 48.642147 | -.00008124 |
| 5 | 4s | 27.357619 | .00097343 |
| 6 | 2s | 69.837518 | .00001915 |
| 7 | 5s | 11.891010 | -.00876306 |
| 8 | 3s | 2.585107 | .00063224 |
| 9 | 4s | 2.959500 | -.00051819 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581446 | < 1/R**2 > | 372.394367 |
Total Energy= -288.68034990 a.u.
Kinetic Energy= 288.67656534 a.u.
Potential Energy= -577.35691525 a.u.
Virial Ratio = -2.00001311