(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | .361329 | .60947818 |
| 2 | 4d | .216278 | -1.92549168 |
| 3 | 3d | .308266 | .89664337 |
| 4 | 4d | .823680 | -.14540010 |
| 5 | 5d | .588404 | -.31536208 |
| 6 | 5d | .213893 | .42050351 |
| 7 | 3d | 4.660377 | .00117787 |
| 8 | 4d | 2.687373 | .00511097 |
| ORB.ENERGY,a.u. | -.030157 | ||
| NORM | 1.000002 | < R > | 21.782721 | < R2 > | 542.335060 | < 1/R > | .060342 | < 1/R**2 > | .005919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.474578 | .24851122 |
| 2 | 2p | 1.042897 | -.83378819 |
| 3 | 3p | 1.583823 | -.24738543 |
| 4 | 2p | 7.041642 | .10087631 |
| 5 | 3p | 9.736565 | -.00972672 |
| 6 | 4p | .985813 | .00895325 |
| 7 | 4p | 25.087773 | -.00034178 |
| 8 | 5p | 75.150895 | -.00000956 |
| 9 | 5p | 1.063830 | .00474204 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.465186 | < R2 > | 7.066705 | < 1/R > | .530593 | < 1/R**2 > | .619340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.345044 | -.16187187 |
| 2 | 1s | 9.467977 | .18692469 |
| 3 | 1s | 21.612611 | .00222471 |
| 4 | 2s | 4.211621 | -.27201462 |
| 5 | 3s | 1.729605 | .86684186 |
| 6 | 4s | 3.096183 | .14488341 |
| 7 | 5s | 1.569352 | .08377332 |
| 8 | 4s | 45.336880 | -.00005971 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093018 | < R2 > | 5.046637 | < 1/R > | .634334 | < 1/R**2 > | 2.226787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .843201 | .00011275 |
| 2 | 2p | 7.176971 | .48231398 |
| 3 | 3p | 5.436483 | .49330087 |
| 4 | 4p | 4.265739 | .12706329 |
| 5 | 5p | 2.747415 | .00337826 |
| 6 | 2p | 14.231745 | .00945149 |
| 7 | 5p | 31.545883 | -.00045766 |
| 8 | 4p | 45.420945 | -.00008183 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535261 | < R2 > | .359454 | < 1/R > | 2.456920 | < 1/R**2 > | 8.523600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398861 | .35141664 |
| 2 | 2s | 4.934861 | -.77287241 |
| 3 | 3s | 4.398244 | -.16879024 |
| 4 | 4s | 21.977864 | .00177982 |
| 5 | 2s | 6.454029 | -.18123673 |
| 6 | 3s | 14.462121 | .01041482 |
| 7 | 4s | 3.415015 | -.00406977 |
| 8 | 4s | 61.740665 | -.00002044 |
| 9 | 5s | 1.700085 | -.00007727 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562540 | < R2 > | .376646 | < 1/R > | 2.592133 | < 1/R**2 > | 27.725209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577897 | 1.01499681 |
| 2 | 2s | 18.820734 | -.02466569 |
| 3 | 3s | 9.622315 | .02347164 |
| 4 | 4s | 48.615477 | -.00008123 |
| 5 | 4s | 27.354306 | .00097347 |
| 6 | 2s | 69.807716 | .00001919 |
| 7 | 5s | 11.890516 | -.00876354 |
| 8 | 3s | 2.583687 | .00063317 |
| 9 | 4s | 2.957826 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581444 | < 1/R**2 > | 372.394387 |
Total Energy= -288.60561379 a.u.
Kinetic Energy= 288.60329256 a.u.
Potential Energy= -577.20890635 a.u.
Virial Ratio = -2.00000804