(1s 2 2s 2 2p 1 3d 1 ) 1 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3.061856 | .96124121 |
| 2 | 3d | 7.425108 | .02037769 |
| 3 | 4d | 2.534669 | .03926540 |
| 4 | 5d | 24.969423 | -.00012638 |
| 5 | 5d | 2.354133 | -.02370356 |
| 6 | 4d | 1.989272 | .01473443 |
| ORB.ENERGY,a.u. | -4.527000 | ||
| NORM | 1.000000 | < R > | 1.145945 | < R2 > | 1.507444 | < 1/R > | 1.025368 | < 1/R**2 > | 1.276384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.670275 | 1.10606206 |
| 2 | 3p | 7.088338 | -.13514289 |
| 3 | 2p | 13.727680 | .01432407 |
| 4 | 5p | 11.532639 | .01278144 |
| 5 | 4p | 17.441995 | .00089225 |
| 6 | 5p | 17.742608 | .00467220 |
| 7 | 5p | 4.676808 | .00307809 |
| 8 | 4p | 3.729494 | -.00208192 |
| ORB.ENERGY,a.u. | -13.568000 | ||
| NORM | 1.000000 | < R > | .429560 | < R2 > | .223482 | < 1/R > | 2.944501 | < 1/R**2 > | 11.742605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.170426 | .36288370 |
| 2 | 2s | 5.168015 | -.80361568 |
| 3 | 3s | 7.649730 | -.28007249 |
| 4 | 4s | 26.342602 | .00134275 |
| 5 | 5s | 14.876170 | -.01173713 |
| 6 | 5s | 5.840086 | .01548030 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496075 | < R2 > | .288327 | < 1/R > | 2.951550 | < 1/R**2 > | 35.274023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.164578 | .92617068 |
| 2 | 1s | 20.283536 | .07407193 |
| 3 | 2s | 11.997641 | .01876026 |
| 4 | 3s | 14.852046 | -.01664780 |
| 5 | 4s | 71.500442 | -.00005864 |
| 6 | 5s | 32.427875 | .00090264 |
| 7 | 4s | 7.143673 | .00009024 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110549 | < R2 > | .016377 | < 1/R > | 13.649188 | < 1/R**2 > | 375.265871 |
Total Energy= -243.21665493 a.u.
Kinetic Energy= 243.08424529 a.u.
Potential Energy= -486.30090022 a.u.
Virial Ratio = -2.00054471