(1s 2 2s 2 2p 1 5d 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 2.329510 | 1.45618635 |
| 2 | 4d | 1.923990 | -4.36315045 |
| 3 | 5d | 1.792961 | 3.60507761 |
| 4 | 3d | 5.554090 | .03905740 |
| 5 | 5d | 1.235397 | -.02045995 |
| 6 | 5d | 7.882868 | -.00652371 |
| 7 | 4d | 35.349469 | .00003523 |
| 8 | 5d | 1.036871 | .00577946 |
| ORB.ENERGY,a.u. | -1.652300 | ||
| NORM | 1.000001 | < R > | 3.748505 | < R2 > | 15.956381 | < 1/R > | .372155 | < 1/R**2 > | .288053 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.656946 | 1.09887316 |
| 2 | 3p | 7.177347 | -.12570065 |
| 3 | 2p | 13.518500 | .01564649 |
| 4 | 5p | 11.717174 | .01004419 |
| 5 | 4p | 17.772632 | .00091467 |
| 6 | 5p | 17.576212 | .00481525 |
| 7 | 5p | 4.642479 | .00201902 |
| 8 | 4p | 3.966391 | -.00154370 |
| ORB.ENERGY,a.u. | -14.366000 | ||
| NORM | 1.000000 | < R > | .431339 | < R2 > | .225373 | < 1/R > | 2.933515 | < 1/R**2 > | 11.662325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.152145 | .36494779 |
| 2 | 2s | 5.190863 | -.80556801 |
| 3 | 3s | 7.608750 | -.28147993 |
| 4 | 4s | 26.408251 | .00131073 |
| 5 | 5s | 14.921977 | -.01196220 |
| 6 | 5s | 5.820791 | .01984932 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494245 | < R2 > | .285938 | < 1/R > | 2.961912 | < 1/R**2 > | 35.499224 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.164965 | .92609652 |
| 2 | 1s | 20.280076 | .07411458 |
| 3 | 2s | 11.994690 | .01880445 |
| 4 | 3s | 14.846200 | -.01665573 |
| 5 | 4s | 71.646997 | -.00005814 |
| 6 | 5s | 32.451739 | .00090574 |
| 7 | 5s | 8.189790 | .00007060 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649383 | < 1/R**2 > | 375.273666 |
Total Energy= -240.21607954 a.u.
Kinetic Energy= 240.20962718 a.u.
Potential Energy= -480.42570673 a.u.
Virial Ratio = -2.00002686