(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | .405648 | 1.42998407 |
| 2 | 4d | .486335 | -.51187811 |
| 3 | 3d | 1.212614 | .27573579 |
| 4 | 4d | 1.523510 | -.12172481 |
| 5 | 5d | 2.955252 | -.00678968 |
| 6 | 3d | 5.384509 | .00315868 |
| ORB.ENERGY,a.u. | -.067298 | ||
| NORM | 1.000000 | < R > | 7.645905 | < R2 > | 70.453865 | < 1/R > | .166297 | < 1/R**2 > | .038246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.579060 | .21827160 |
| 2 | 2p | .815525 | -1.00267175 |
| 3 | 3p | 1.734363 | -.29230660 |
| 4 | 2p | 7.046258 | .09676834 |
| 5 | 3p | 9.530203 | -.01000863 |
| 6 | 4p | 1.006032 | .27940068 |
| 7 | 4p | 24.260012 | -.00039982 |
| 8 | 5p | 70.646615 | -.00001299 |
| 9 | 5p | .467213 | -.00120488 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.532948 | < R2 > | 7.520385 | < 1/R > | .518218 | < 1/R**2 > | .591469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.402139 | -.16125460 |
| 2 | 1s | 9.459019 | .18766118 |
| 3 | 1s | 21.670355 | .00219267 |
| 4 | 2s | 4.212789 | -.27280532 |
| 5 | 3s | 1.723637 | .86874036 |
| 6 | 4s | 3.108865 | .14473275 |
| 7 | 5s | 1.516539 | .08465926 |
| 8 | 4s | 45.235153 | -.00006075 |
| 9 | 4s | .519938 | .00055170 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.102223 | < R2 > | 5.100230 | < 1/R > | .632136 | < 1/R**2 > | 2.211825 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.176456 | .48245349 |
| 2 | 3p | 5.436456 | .49316562 |
| 3 | 4p | 4.267354 | .12699777 |
| 4 | 5p | 2.759699 | .00334120 |
| 5 | 2p | 14.233519 | .00945045 |
| 6 | 5p | 31.547522 | -.00045657 |
| 7 | 4p | 45.392299 | -.00008180 |
| 8 | 3p | .862149 | .00014484 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535191 | < R2 > | .359343 | < 1/R > | 2.457150 | < 1/R**2 > | 8.524956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399429 | .35140794 |
| 2 | 2s | 4.933995 | -.77290580 |
| 3 | 3s | 4.399899 | -.16876103 |
| 4 | 4s | 21.827942 | .00175592 |
| 5 | 2s | 6.456234 | -.18118725 |
| 6 | 3s | 14.528772 | .01037121 |
| 7 | 4s | 3.381559 | -.00402218 |
| 8 | 4s | 60.869134 | -.00002339 |
| 9 | 5s | 1.371797 | -.00006295 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562510 | < R2 > | .376600 | < 1/R > | 2.592263 | < 1/R**2 > | 27.727757 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577920 | 1.01499637 |
| 2 | 2s | 18.820249 | -.02466512 |
| 3 | 3s | 9.622992 | .02346934 |
| 4 | 4s | 48.659047 | -.00008129 |
| 5 | 4s | 27.355933 | .00097347 |
| 6 | 2s | 69.824995 | .00001914 |
| 7 | 5s | 11.891663 | -.00876245 |
| 8 | 3s | 2.584086 | .00063376 |
| 9 | 4s | 2.958088 | -.00051823 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111426 | < R2 > | .016699 | < 1/R > | 13.581476 | < 1/R**2 > | 372.395755 |
Total Energy= -288.63046997 a.u.
Kinetic Energy= 288.64049116 a.u.
Potential Energy= -577.27096112 a.u.
Virial Ratio = -1.99996528