(1s 2 2s 2 2p 6 3s 1 4p 1 ) 3 P Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | .466926 | .42872273 |
| 2 | 2p | 5.898917 | .12405419 |
| 3 | 3p | 8.817873 | -.01715925 |
| 4 | 4p | 2.003287 | -.52833594 |
| 5 | 5p | 1.099702 | .89712150 |
| 6 | 5p | 3.732492 | -.10053415 |
| 7 | 4p | 12.778645 | .00207131 |
| 8 | 3p | .502130 | -.19811679 |
| ORB.ENERGY,a.u. | -.424530 | ||
| NORM | 1.000000 | < R > | 5.085143 | < R2 > | 29.081260 | < 1/R > | .264129 | < 1/R**2 > | .208459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.346033 | -.05173798 |
| 2 | 1s | 8.268075 | .14320046 |
| 3 | 1s | 16.549360 | .01341388 |
| 4 | 2s | 5.781805 | -.34921675 |
| 5 | 3s | 1.831182 | .71197576 |
| 6 | 4s | 2.680868 | .37526822 |
| 7 | 5s | 6.693355 | -.06179597 |
| 8 | 4s | 57.787140 | -.00002910 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.877878 | < R2 > | 4.005502 | < 1/R > | .712297 | < 1/R**2 > | 2.898479 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.581377 | .43677585 |
| 2 | 3p | 5.859599 | .48576833 |
| 3 | 4p | 4.700415 | .18443779 |
| 4 | 5p | 3.706508 | .01109171 |
| 5 | 2p | 16.804251 | .00424632 |
| 6 | 5p | 33.171237 | -.00014517 |
| 7 | 4p | 100.907241 | .00000131 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533176 | < R2 > | .356004 | < 1/R > | 2.463344 | < 1/R**2 > | 8.560495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.459916 | .34875523 |
| 2 | 2s | 5.549970 | -.81997328 |
| 3 | 3s | 4.644940 | -.30625495 |
| 4 | 4s | 19.620559 | .00318036 |
| 5 | 3s | 15.586684 | .00661140 |
| 6 | 2s | 2.268958 | -.00685723 |
| 7 | 5s | 36.075179 | .00022811 |
| 8 | 5s | 55.659762 | .00002082 |
| 9 | 5s | 1.964071 | .00003762 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562269 | < R2 > | .376229 | < 1/R > | 2.593244 | < 1/R**2 > | 27.746401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587018 | 1.01400017 |
| 2 | 2s | 19.344163 | -.02232467 |
| 3 | 3s | 9.849973 | .01996360 |
| 4 | 4s | 54.320926 | -.00040252 |
| 5 | 4s | 10.398140 | .00284841 |
| 6 | 5s | 71.200126 | .00012758 |
| 7 | 5s | 11.808883 | -.00881264 |
| 8 | 2s | 172.814379 | .00000103 |
| 9 | 2s | 4.967204 | .00077013 |
| 10 | 5s | 6.203126 | -.00000457 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111423 | < R2 > | .016698 | < 1/R > | 13.581784 | < 1/R**2 > | 372.409902 |
Total Energy= -287.24138642 a.u.
Kinetic Energy= 287.24591728 a.u.
Potential Energy= -574.48730370 a.u.
Virial Ratio = -1.99998423