(1s 2 2s 2 2p 2 5d 1 ) 2 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.926909 | 1.91866433 |
| 2 | 4d | 1.695374 | -5.09402343 |
| 3 | 5d | 1.588450 | 3.89291508 |
| 4 | 3d | 7.266636 | .01235843 |
| 5 | 5d | 3.686333 | -.01989897 |
| 6 | 4d | 18.299382 | -.00014350 |
| 7 | 5d | 1.157977 | -.00588167 |
| ORB.ENERGY,a.u. | -1.289600 | ||
| NORM | 1.000000 | < R > | 4.268487 | < R2 > | 20.705120 | < 1/R > | .327447 | < 1/R**2 > | .222503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.326536 | 1.15515037 |
| 2 | 3p | 6.293111 | -.18005334 |
| 3 | 2p | 13.696853 | .02088984 |
| 4 | 4p | 16.018259 | .00863330 |
| 5 | 5p | 22.606118 | -.00186518 |
| 6 | 5p | 3.627002 | .00035212 |
| 7 | 4p | 60.476196 | .00004256 |
| ORB.ENERGY,a.u. | -12.534000 | ||
| NORM | 1.000000 | < R > | .446173 | < R2 > | .242098 | < 1/R > | 2.848991 | < 1/R**2 > | 11.057989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.237474 | .39966899 |
| 2 | 2s | 5.920692 | -.84556309 |
| 3 | 3s | 6.124580 | -.27717456 |
| 4 | 4s | 23.080290 | .00220002 |
| 5 | 3s | 13.617241 | .01576188 |
| 6 | 5s | 6.095048 | -.02967332 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506685 | < R2 > | .301211 | < 1/R > | 2.884618 | < 1/R**2 > | 33.806369 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162257 | .92626763 |
| 2 | 1s | 20.402431 | .07282417 |
| 3 | 2s | 12.170474 | .01939932 |
| 4 | 3s | 15.602205 | -.01547454 |
| 5 | 5s | 32.796170 | .00104621 |
| 6 | 4s | 78.199373 | -.00004129 |
| 7 | 5s | 10.246616 | .00045060 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110787 | < R2 > | .016463 | < 1/R > | 13.630363 | < 1/R**2 > | 374.462215 |
Total Energy= -252.77886883 a.u.
Kinetic Energy= 252.75190429 a.u.
Potential Energy= -505.53077312 a.u.
Virial Ratio = -2.00010668