(1s 2 2s 2 2p 3 4p 1 ) 3 P Si 6+
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 | 6.802315 | .16802458 |
| 2 | 3p | 1.546859 | 2.35699519 |
| 3 | 4p | 2.747211 | -1.82292811 |
| 4 | 5p | 4.918765 | -.18991371 |
| 5 | 3p | 13.388779 | -.00249084 |
| 6 | 5p | 1.433498 | -.13134163 |
| 7 | 4p | .875077 | .03479587 |
| 8 | 3p | .674858 | -.02047467 |
| 9 | 4p | 29.429658 | -.00005528 |
| ORB.ENERGY,a.u. | -1.745400 | ||
| NORM | 1.000000 | < R > | 2.886542 | < R2 > | 9.408731 | < 1/R > | .475688 | < 1/R**2 > | .605822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.297457 | 1.33381153 |
| 2 | 3p | 6.937910 | -.41046298 |
| 3 | 4p | 8.749811 | .07400120 |
| 4 | 5p | 1.966986 | .06872321 |
| 5 | 4p | 22.376118 | -.00198362 |
| 6 | 4p | 1.687286 | -.09517788 |
| 7 | 3p | 26.832584 | -.00043255 |
| 8 | 3p | 1.384834 | .03748601 |
| ORB.ENERGY,a.u. | -10.643000 | ||
| NORM | 1.000000 | < R > | .461788 | < R2 > | .261063 | < 1/R > | 2.765778 | < 1/R**2 > | 10.476092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.215567 | .38985032 |
| 2 | 2s | 5.857668 | -.85069457 |
| 3 | 3s | 5.568940 | -.28578282 |
| 4 | 4s | 23.431199 | .00217039 |
| 5 | 3s | 13.199842 | .01671266 |
| 6 | 5s | 5.646870 | -.01566945 |
| 7 | 4s | 1.832762 | .00017829 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .520176 | < R2 > | .318351 | < 1/R > | 2.805956 | < 1/R**2 > | 32.117148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.170205 | .92666718 |
| 2 | 1s | 20.339170 | .07189725 |
| 3 | 2s | 11.796788 | .01818453 |
| 4 | 3s | 16.617739 | -.01485253 |
| 5 | 4s | 25.858845 | .00300441 |
| 6 | 5s | 48.249654 | .00008424 |
| 7 | 5s | 10.192394 | .00070436 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .111008 | < R2 > | .016543 | < 1/R > | 13.613087 | < 1/R**2 > | 373.727906 |
Total Energy= -264.39594326 a.u.
Kinetic Energy= 264.37345455 a.u.
Potential Energy= -528.76939781 a.u.
Virial Ratio = -2.00008506