(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 3 F Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | .415657 | .58208182 |
| 2 | 4d | .260878 | -1.30575513 |
| 3 | 3d | 1.028037 | .36920319 |
| 4 | 4d | 1.279968 | -.19122381 |
| 5 | 5d | 2.655434 | -.00987968 |
| 6 | 5d | .247994 | .12138277 |
| 7 | 3d | 5.278710 | .00267192 |
| 8 | 4d | 24.923694 | .00000392 |
| ORB.ENERGY,a.u. | -.036414 | ||
| NORM | 1.000002 | < R > | 17.129014 | < R2 > | 343.535557 | < 1/R > | .086898 | < 1/R**2 > | .016395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.472205 | .24179676 |
| 2 | 2p | 1.025990 | -.82893010 |
| 3 | 3p | 1.614358 | -.24334308 |
| 4 | 2p | 6.986551 | .10196489 |
| 5 | 3p | 9.498508 | -.01072195 |
| 6 | 4p | .464642 | .02532975 |
| 7 | 4p | 24.527209 | -.00038752 |
| 8 | 5p | 72.171751 | -.00001196 |
| 9 | 5p | .573179 | -.02119473 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.495372 | < R2 > | 7.262377 | < 1/R > | .524824 | < 1/R**2 > | .606188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.355073 | -.16159496 |
| 2 | 1s | 9.467420 | .18683761 |
| 3 | 1s | 21.616446 | .00221554 |
| 4 | 2s | 4.211046 | -.27186556 |
| 5 | 3s | 1.727566 | .86616827 |
| 6 | 4s | 3.100640 | .14521406 |
| 7 | 5s | 1.554614 | .08521314 |
| 8 | 4s | 45.596569 | -.00005929 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.096873 | < R2 > | 5.068296 | < 1/R > | .633348 | < 1/R**2 > | 2.219830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.176757 | .48237432 |
| 2 | 3p | 5.436488 | .49324206 |
| 3 | 4p | 4.266436 | .12703469 |
| 4 | 5p | 2.753763 | .00335993 |
| 5 | 2p | 14.232537 | .00945106 |
| 6 | 5p | 31.547395 | -.00045713 |
| 7 | 4p | 45.408946 | -.00008182 |
| 8 | 3p | .868954 | .00012391 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535230 | < R2 > | .359404 | < 1/R > | 2.457025 | < 1/R**2 > | 8.524219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399048 | .35141588 |
| 2 | 2s | 4.934906 | -.77286749 |
| 3 | 3s | 4.398523 | -.16878463 |
| 4 | 4s | 21.989247 | .00178020 |
| 5 | 2s | 6.453897 | -.18123658 |
| 6 | 3s | 14.464610 | .01041228 |
| 7 | 4s | 3.416544 | -.00406173 |
| 8 | 4s | 61.334949 | -.00002022 |
| 9 | 5s | 1.719607 | -.00008249 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562528 | < R2 > | .376627 | < 1/R > | 2.592189 | < 1/R**2 > | 27.726323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577907 | 1.01499669 |
| 2 | 2s | 18.820461 | -.02466553 |
| 3 | 3s | 9.622653 | .02347057 |
| 4 | 4s | 48.637292 | -.00008128 |
| 5 | 4s | 27.355255 | .00097347 |
| 6 | 2s | 69.821044 | .00001916 |
| 7 | 5s | 11.891087 | -.00876302 |
| 8 | 3s | 2.583836 | .00063346 |
| 9 | 4s | 2.957908 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581459 | < 1/R**2 > | 372.395029 |
Total Energy= -288.60570148 a.u.
Kinetic Energy= 288.60955155 a.u.
Potential Energy= -577.21525303 a.u.
Virial Ratio = -1.99998666