(1s 2 2s 2 2p 2 5d 1 ) 4 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 2.104131 | 1.50555315 |
| 2 | 4d | 1.773047 | -3.94865047 |
| 3 | 5d | 1.602256 | 3.16984072 |
| 4 | 3d | 6.248820 | .02977895 |
| 5 | 5d | 3.548396 | -.06252490 |
| 6 | 4d | 16.084197 | -.00029544 |
| 7 | 5d | 1.087467 | -.00456971 |
| ORB.ENERGY,a.u. | -1.321300 | ||
| NORM | 1.000000 | < R > | 4.161745 | < R2 > | 19.674797 | < 1/R > | .336714 | < 1/R**2 > | .240457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.338120 | 1.18061662 |
| 2 | 3p | 6.493138 | -.19663569 |
| 3 | 2p | 13.733837 | .01756853 |
| 4 | 4p | 14.563350 | .00426655 |
| 5 | 5p | 30.947905 | -.00027168 |
| 6 | 5p | 6.444159 | -.00537981 |
| 7 | 4p | 1.066365 | .00123864 |
| 8 | 3p | .859049 | -.00120003 |
| ORB.ENERGY,a.u. | -12.565000 | ||
| NORM | 1.000000 | < R > | .446521 | < R2 > | .242453 | < 1/R > | 2.846858 | < 1/R**2 > | 11.042748 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.237414 | .39965852 |
| 2 | 2s | 5.920577 | -.84555239 |
| 3 | 3s | 6.123747 | -.27717634 |
| 4 | 4s | 23.085462 | .00221431 |
| 5 | 3s | 13.614604 | .01571494 |
| 6 | 5s | 6.097243 | -.02964198 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506694 | < R2 > | .301221 | < 1/R > | 2.884540 | < 1/R**2 > | 33.804297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626239 |
| 2 | 1s | 20.401077 | .07282770 |
| 3 | 2s | 12.168759 | .01940125 |
| 4 | 3s | 15.600393 | -.01547513 |
| 5 | 5s | 32.783062 | .00104669 |
| 6 | 4s | 78.234793 | -.00004188 |
| 7 | 5s | 10.231859 | .00044999 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016462 | < 1/R > | 13.630431 | < 1/R**2 > | 374.465199 |
Total Energy= -252.77970299 a.u.
Kinetic Energy= 252.78362742 a.u.
Potential Energy= -505.56333042 a.u.
Virial Ratio = -1.99998448