(1s 2 2s 2 2p 4 4p 1 ) 4 S Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 6.575970 | .17333467 |
| 2 | 3p | 1.323238 | 2.07342119 |
| 3 | 4p | 2.516906 | -1.49899503 |
| 4 | 5p | .473091 | .18764070 |
| 5 | 5p | 4.592441 | -.16732928 |
| 6 | 3p | 11.896602 | -.00444629 |
| 7 | 5p | 1.207631 | -.20539814 |
| 8 | 4p | .721878 | .11131941 |
| 9 | 4p | .424798 | -.23428207 |
| 10 | 5p | 39.858152 | -.00006011 |
| ORB.ENERGY,a.u. | -1.337800 | ||
| NORM | 1.000000 | < R > | 3.219422 | < R2 > | 11.716782 | < 1/R > | .433908 | < 1/R**2 > | .547209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.642786 | 1.21049933 |
| 2 | 3p | 5.441393 | -.28033650 |
| 3 | 2p | 10.769955 | .06731108 |
| 4 | 4p | 12.509429 | .01321490 |
| 5 | 5p | 1.717670 | .00094306 |
| 6 | 5p | 33.485898 | -.00014860 |
| 7 | 4p | 4.257884 | -.00193096 |
| 8 | 4p | 4.258242 | -.00032694 |
| ORB.ENERGY,a.u. | -8.542400 | ||
| NORM | 1.000000 | < R > | .484344 | < R2 > | .288597 | < 1/R > | 2.659777 | < 1/R**2 > | 9.783177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.316452 | .37462921 |
| 2 | 2s | 5.742794 | -.84089133 |
| 3 | 3s | 5.171578 | -.29642499 |
| 4 | 4s | 16.254150 | .00698853 |
| 5 | 3s | 17.108239 | .00710586 |
| 6 | 5s | 32.033733 | .00054436 |
| 7 | 5s | 4.588166 | -.00404008 |
| 8 | 4s | 2.559576 | .00065156 |
| 9 | 2s | 104.603789 | .00000210 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533510 | < R2 > | .335919 | < 1/R > | 2.733290 | < 1/R**2 > | 30.589083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204111 | .91792839 |
| 2 | 1s | 19.479333 | .07911457 |
| 3 | 2s | 8.060000 | .01968351 |
| 4 | 3s | 9.904556 | -.01997182 |
| 5 | 4s | 12.236581 | .00947568 |
| 6 | 5s | 33.725130 | .00089250 |
| 7 | 4s | 78.324180 | -.00003633 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111175 | < R2 > | .016605 | < 1/R > | 13.600366 | < 1/R**2 > | 373.190814 |
Total Energy= -272.96473173 a.u.
Kinetic Energy= 272.95341699 a.u.
Potential Energy= -545.91814872 a.u.
Virial Ratio = -2.00004145