(1s 1 4d 1 ) 1 D Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 3.312828 | 1.98565100 |
| 2 | 4d | 3.247949 | -2.49972058 |
| 3 | 3d | 5.269687 | -.00084997 |
| 4 | 4d | 15.535708 | -.00013910 |
| 5 | 5d | 64.924010 | .00000850 |
| ORB.ENERGY,a.u. | -5.538600 | ||
| NORM | .999999 | < R > | 1.615732 | < R2 > | 2.983441 | < 1/R > | .812220 | < 1/R**2 > | 1.055229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755785 | .88933674 |
| 2 | 1s | 16.406317 | .10550526 |
| 3 | 2s | 15.509464 | .01058318 |
| 4 | 3s | 14.504711 | -.00523913 |
| 5 | 4s | 17.006704 | .00007888 |
| 6 | 5s | 18.686897 | .00009351 |
| ORB.ENERGY,a.u. | -97.414000 |
| NORM | 1.000000 | < R > | .107140 | < R2 > | .015305 | < 1/R > | 14.000197 | < 1/R**2 > | 392.008330 |
Total Energy= -103.29372691 a.u.
Kinetic Energy= 103.28038108 a.u.
Potential Energy= -206.57410799 a.u.
Virial Ratio = -2.00012922