(1s 2 2s 2 2p 2 5d 1 ) 2 F Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | 2.001265 | 1.64684500 |
| 2 | 4d | 1.732316 | -4.42972859 |
| 3 | 5d | 1.588629 | 3.46703802 |
| 4 | 3d | 5.150785 | .03759736 |
| 5 | 5d | 7.820952 | -.00943592 |
| 6 | 4d | 23.968955 | .00011453 |
| 7 | 5d | 1.196003 | -.01380820 |
| 8 | 5d | 80.200457 | .00000597 |
| ORB.ENERGY,a.u. | -1.302200 | ||
| NORM | 1.000000 | < R > | 4.226819 | < R2 > | 20.299435 | < 1/R > | .330782 | < 1/R**2 > | .228131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.327333 | 1.15451305 |
| 2 | 3p | 6.300616 | -.17927441 |
| 3 | 2p | 13.708226 | .02081964 |
| 4 | 4p | 16.060453 | .00866639 |
| 5 | 5p | 22.653891 | -.00189902 |
| 6 | 5p | 3.678121 | .00036922 |
| 7 | 4p | 60.667793 | .00004255 |
| ORB.ENERGY,a.u. | -12.546000 | ||
| NORM | 1.000000 | < R > | .446292 | < R2 > | .242230 | < 1/R > | 2.848307 | < 1/R**2 > | 11.053121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235270 | .39977896 |
| 2 | 2s | 5.921146 | -.84563459 |
| 3 | 3s | 6.123134 | -.27721477 |
| 4 | 4s | 23.009450 | .00235012 |
| 5 | 3s | 13.567498 | .01556192 |
| 6 | 5s | 6.097505 | -.02962934 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506688 | < R2 > | .301214 | < 1/R > | 2.884594 | < 1/R**2 > | 33.805724 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162257 | .92626832 |
| 2 | 1s | 20.402672 | .07282336 |
| 3 | 2s | 12.171997 | .01939834 |
| 4 | 3s | 15.602253 | -.01547452 |
| 5 | 5s | 32.798857 | .00104574 |
| 6 | 4s | 78.174688 | -.00004125 |
| 7 | 5s | 10.251037 | .00045175 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016463 | < 1/R > | 13.630385 | < 1/R**2 > | 374.463182 |
Total Energy= -252.77946057 a.u.
Kinetic Energy= 252.76449215 a.u.
Potential Energy= -505.54395272 a.u.
Virial Ratio = -2.00005922