(1s 2 2s 2 2p 4 3d 1 ) 2 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 2.060118 | 1.04770145 |
| 2 | 3d | 6.632570 | .01448732 |
| 3 | 4d | 2.719653 | -.05767688 |
| 4 | 5d | 48.110988 | .00001088 |
| 5 | 5d | 1.924531 | .00666181 |
| ORB.ENERGY,a.u. | -2.039200 | ||
| NORM | 1.000000 | < R > | 1.698764 | < R2 > | 3.314621 | < 1/R > | .692765 | < 1/R**2 > | .585125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.670353 | 1.19470293 |
| 2 | 3p | 5.487048 | -.26529113 |
| 3 | 2p | 10.762868 | .06731326 |
| 4 | 4p | 12.465728 | .01351545 |
| 5 | 5p | 33.622292 | -.00014448 |
| 6 | 5p | 2.567350 | -.00029519 |
| ORB.ENERGY,a.u. | -8.135200 | ||
| NORM | 1.000000 | < R > | .484097 | < R2 > | .288239 | < 1/R > | 2.660859 | < 1/R**2 > | 9.790474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.337413 | .37339065 |
| 2 | 2s | 5.749288 | -.84026874 |
| 3 | 3s | 5.178148 | -.29584204 |
| 4 | 4s | 16.331734 | .01068140 |
| 5 | 3s | 20.711930 | .00522273 |
| 6 | 5s | 27.613890 | .00103202 |
| 7 | 5s | 4.834224 | -.00651057 |
| 8 | 2s | 54.074404 | .00004113 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533982 | < R2 > | .336678 | < 1/R > | 2.731588 | < 1/R**2 > | 30.557398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204832 | .91772178 |
| 2 | 1s | 19.462663 | .07931947 |
| 3 | 2s | 8.039356 | .01968576 |
| 4 | 3s | 9.928395 | -.01992687 |
| 5 | 4s | 12.308719 | .00936871 |
| 6 | 5s | 33.677204 | .00093604 |
| 7 | 4s | 80.878845 | -.00003428 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016602 | < 1/R > | 13.601135 | < 1/R**2 > | 373.224094 |
Total Energy= -273.70774236 a.u.
Kinetic Energy= 273.65540910 a.u.
Potential Energy= -547.36315146 a.u.
Virial Ratio = -2.00019124