(1s 2 2s 1 5d 1 ) 1 D Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.198486 | 3.53216125 |
| 2 | 4d | 2.202140 | -8.83783250 |
| 3 | 5d | 2.203923 | 5.98673794 |
| 4 | 3d | 9.338436 | .00556586 |
| 5 | 5d | 1.919756 | .00777546 |
| 6 | 5d | 25.372175 | -.00025951 |
| 7 | 4d | 5.504825 | .00479544 |
| 8 | 4d | 44.022292 | -.00002433 |
| ORB.ENERGY,a.u. | -2.425400 | ||
| NORM | 1.000004 | < R > | 3.126551 | < R2 > | 11.097742 | < 1/R > | .443755 | < 1/R**2 > | .399033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.517658 | .41844101 |
| 2 | 2s | 5.984633 | -.80106224 |
| 3 | 3s | 7.172182 | -.30334167 |
| 4 | 5s | 12.312486 | -.02426506 |
| 5 | 4s | 24.650520 | .00660713 |
| 6 | 5s | 32.725335 | -.00167870 |
| 7 | 4s | 86.118280 | .00002122 |
| ORB.ENERGY,a.u. | -18.775000 | ||
| NORM | 1.000000 | < R > | .471593 | < R2 > | .259398 | < 1/R > | 3.123953 | < 1/R**2 > | 39.347556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.409159 | .93608851 |
| 2 | 1s | 21.386221 | .05189299 |
| 3 | 2s | 16.517290 | .01651909 |
| 4 | 3s | 9.803996 | .00161844 |
| 5 | 4s | 56.374155 | -.00049305 |
| 6 | 5s | 75.405449 | .00018058 |
| 7 | 5s | 6.730882 | .00010834 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110248 | < R2 > | .016273 | < 1/R > | 13.675047 | < 1/R**2 > | 376.412200 |
Total Energy= -209.02944951 a.u.
Kinetic Energy= 208.96312206 a.u.
Potential Energy= -417.99257157 a.u.
Virial Ratio = -2.00031741