(1s 2 2s 2 2p 6 4d 1 ) 2 D Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.199687 | 1.20258535 |
| 2 | 4d | 1.002193 | -1.71419271 |
| 3 | 3d | 3.105552 | .12907890 |
| 4 | 4d | 3.867375 | -.07305041 |
| 5 | 5d | 7.544044 | -.00354179 |
| 6 | 4d | 27.515830 | .00003138 |
| 7 | 5d | .744914 | .00319630 |
| ORB.ENERGY,a.u. | -.516280 | ||
| NORM | 1.000000 | < R > | 5.024063 | < R2 > | 29.048924 | < 1/R > | .269351 | < 1/R**2 > | .125118 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.352954 | .46597878 |
| 2 | 3p | 5.593347 | .50380975 |
| 3 | 4p | 4.343336 | .18774878 |
| 4 | 5p | 3.205935 | .03559390 |
| 5 | 2p | 15.358353 | .00647597 |
| 6 | 5p | 31.162511 | -.00031109 |
| 7 | 3p | 2.680830 | -.07900058 |
| 8 | 4p | 41.911491 | -.00006148 |
| 9 | 5p | .965199 | -.00003450 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .530966 | < R2 > | .352493 | < 1/R > | 2.470583 | < 1/R**2 > | 8.603043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.464866 | .34872007 |
| 2 | 2s | 5.542728 | -.82247621 |
| 3 | 3s | 4.628386 | -.30868814 |
| 4 | 4s | 18.564928 | .00643925 |
| 5 | 3s | 19.267378 | .00320987 |
| 6 | 4s | 1.651998 | -.00369200 |
| 7 | 5s | 38.561524 | .00019845 |
| 8 | 5s | 1.876967 | .00328358 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .561706 | < R2 > | .375230 | < 1/R > | 2.594932 | < 1/R**2 > | 27.774994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587711 | 1.01394785 |
| 2 | 2s | 19.345707 | -.02228377 |
| 3 | 3s | 9.847894 | .02001026 |
| 4 | 4s | 54.161584 | -.00039370 |
| 5 | 4s | 10.866565 | .00268295 |
| 6 | 5s | 70.820558 | .00012124 |
| 7 | 5s | 11.918775 | -.00860466 |
| 8 | 2s | 173.644971 | .00000108 |
| 9 | 2s | 4.805485 | .00071079 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.582079 | < 1/R**2 > | 372.424512 |
Total Energy= -285.69899025 a.u.
Kinetic Energy= 285.69725749 a.u.
Potential Energy= -571.39624774 a.u.
Virial Ratio = -2.00000607