(1s 2 2s 2 2p 2 3d 1 ) 2 F Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 2.731293 | 1.06527218 |
| 2 | 3d | 7.079950 | .02067162 |
| 3 | 4d | 3.296212 | -.07584188 |
| 4 | 5d | 20.147446 | -.00018078 |
| ORB.ENERGY,a.u. | -3.639100 | ||
| NORM | 1.000000 | < R > | 1.263235 | < R2 > | 1.835198 | < 1/R > | .932566 | < 1/R**2 > | 1.059761 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.325729 | 1.18261002 |
| 2 | 3p | 6.343503 | -.20257164 |
| 3 | 2p | 13.922189 | .01747267 |
| 4 | 4p | 16.443356 | .00407234 |
| 5 | 5p | 26.804316 | -.00071583 |
| 6 | 5p | 3.546182 | -.00014557 |
| 7 | 4p | 82.056792 | .00000873 |
| ORB.ENERGY,a.u. | -11.815000 | ||
| NORM | 1.000000 | < R > | .446485 | < R2 > | .242480 | < 1/R > | 2.847564 | < 1/R**2 > | 11.048946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234568 | .39869123 |
| 2 | 2s | 5.917851 | -.84484038 |
| 3 | 3s | 6.078832 | -.27739521 |
| 4 | 4s | 22.754623 | .00236153 |
| 5 | 3s | 13.738171 | .01494380 |
| 6 | 5s | 5.901953 | -.03088001 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .508297 | < R2 > | .303403 | < 1/R > | 2.876195 | < 1/R**2 > | 33.628157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626306 |
| 2 | 1s | 20.401077 | .07282776 |
| 3 | 2s | 12.166584 | .01940205 |
| 4 | 3s | 15.601440 | -.01547473 |
| 5 | 5s | 32.799853 | .00104648 |
| 6 | 4s | 78.175396 | -.00004141 |
| 7 | 5s | 10.184984 | .00045673 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016463 | < 1/R > | 13.630419 | < 1/R**2 > | 374.465174 |
Total Energy= -255.17082315 a.u.
Kinetic Energy= 255.10147647 a.u.
Potential Energy= -510.27229961 a.u.
Virial Ratio = -2.00027184