(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 4p | .498084 | .73665252 |
| 2 | 5p | .301525 | -1.19735589 |
| 3 | 3p | 1.808820 | -.04740522 |
| 4 | 2p | 8.369461 | .00348805 |
| 5 | 2p | 3.812992 | .01237401 |
| 6 | 4p | 9.956892 | .00068495 |
| 7 | 5p | 1.510751 | -.05103814 |
| ORB.ENERGY,a.u. | -.037929 | ||
| NORM | 1.000000 | < R > | 19.015133 | < R2 > | 404.948975 | < 1/R > | .064927 | < 1/R**2 > | .007436 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.456928 | .24453546 |
| 2 | 2p | 1.041684 | -.82386103 |
| 3 | 3p | 1.587894 | -.26151978 |
| 4 | 2p | 6.849156 | .11008233 |
| 5 | 3p | 8.934714 | -.01444163 |
| 6 | 4p | .276140 | -.16338475 |
| 7 | 4p | 24.964027 | -.00085299 |
| 8 | 5p | 33.593643 | .00029202 |
| 9 | 5p | .857629 | .01919789 |
| 10 | 3p | .250053 | .13221812 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.473559 | < R2 > | 7.707120 | < 1/R > | .533473 | < 1/R**2 > | .625705 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.385795 | -.16452377 |
| 2 | 1s | 9.435660 | .18952028 |
| 3 | 1s | 21.420434 | .00232881 |
| 4 | 2s | 4.196058 | -.27348232 |
| 5 | 3s | 1.737973 | .87025236 |
| 6 | 4s | 3.115041 | .13831437 |
| 7 | 5s | 1.581037 | .08851392 |
| 8 | 4s | 45.642452 | -.00005745 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093360 | < R2 > | 5.047867 | < 1/R > | .634168 | < 1/R**2 > | 2.225292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177094 | .48228391 |
| 2 | 3p | 5.436505 | .49332977 |
| 3 | 4p | 4.265428 | .12707654 |
| 4 | 5p | 2.745063 | .00338544 |
| 5 | 2p | 14.231348 | .00945181 |
| 6 | 5p | 31.546066 | -.00045783 |
| 7 | 4p | 45.426015 | -.00008184 |
| 8 | 3p | .833423 | .00010679 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535274 | < R2 > | .359475 | < 1/R > | 2.456878 | < 1/R**2 > | 8.523352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398816 | .35141229 |
| 2 | 2s | 4.934782 | -.77287314 |
| 3 | 3s | 4.398100 | -.16879285 |
| 4 | 4s | 21.978275 | .00177962 |
| 5 | 2s | 6.454197 | -.18123581 |
| 6 | 3s | 14.460703 | .01041716 |
| 7 | 4s | 3.412214 | -.00407917 |
| 8 | 4s | 61.787997 | -.00002047 |
| 9 | 5s | 1.729423 | -.00007516 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562552 | < R2 > | .376663 | < 1/R > | 2.592084 | < 1/R**2 > | 27.724271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577889 | 1.01499713 |
| 2 | 2s | 18.820824 | -.02466606 |
| 3 | 3s | 9.622130 | .02347229 |
| 4 | 4s | 48.603557 | -.00008122 |
| 5 | 4s | 27.353575 | .00097347 |
| 6 | 2s | 69.802276 | .00001920 |
| 7 | 5s | 11.890205 | -.00876387 |
| 8 | 3s | 2.583602 | .00063300 |
| 9 | 4s | 2.957790 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581435 | < 1/R**2 > | 372.394009 |
Total Energy= -288.61176607 a.u.
Kinetic Energy= 288.61102999 a.u.
Potential Energy= -577.22279607 a.u.
Virial Ratio = -2.00000255