(1s 2 2s 2 2p 1 3p 1 ) 3 S Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 3p- electron | |
| 1 | 2p | 4.437648 | .63127460 |
| 2 | 3p | 3.146870 | -1.32853336 |
| 3 | 2p | 9.287852 | .07261395 |
| 4 | 4p | 11.155185 | .01846131 |
| 5 | 5p | 3.027778 | .03045790 |
| 6 | 4p | 2.665037 | -.02058952 |
| 7 | 5p | 20.498810 | .00098091 |
| 8 | 4p | 39.327942 | .00005402 |
| ORB.ENERGY,a.u. | -5.078100 | ||
| NORM | 1.000000 | < R > | 1.233033 | < R2 > | 1.738718 | < 1/R > | 1.101293 | < 1/R**2 > | 2.506336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.710960 | 1.07929467 |
| 2 | 3p | 6.827670 | -.09799617 |
| 3 | 2p | 14.173914 | .01411828 |
| 4 | 5p | 16.523023 | .00183006 |
| 5 | 4p | 28.095813 | -.00036746 |
| 6 | 5p | 5.717521 | .01327695 |
| 7 | 5p | 91.368615 | -.00000349 |
| 8 | 4p | 5.537187 | -.00202075 |
| ORB.ENERGY,a.u. | -13.801000 | ||
| NORM | 1.000000 | < R > | .429738 | < R2 > | .223955 | < 1/R > | 2.945729 | < 1/R**2 > | 11.757237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.159018 | .36311278 |
| 2 | 2s | 5.176326 | -.80453664 |
| 3 | 3s | 7.607197 | -.28070095 |
| 4 | 4s | 26.141591 | .00144204 |
| 5 | 5s | 14.821935 | -.01098659 |
| 6 | 5s | 6.023423 | .01605326 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496383 | < R2 > | .288662 | < 1/R > | 2.949314 | < 1/R**2 > | 35.225845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159571 | .92624530 |
| 2 | 1s | 20.319808 | .07395833 |
| 3 | 2s | 12.033851 | .01895722 |
| 4 | 3s | 15.000204 | -.01668462 |
| 5 | 4s | 72.551248 | -.00005714 |
| 6 | 5s | 32.230078 | .00093594 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110596 | < R2 > | .016393 | < 1/R > | 13.645144 | < 1/R**2 > | 375.089052 |
Total Energy= -243.61836074 a.u.
Kinetic Energy= 243.63172048 a.u.
Potential Energy= -487.25008122 a.u.
Virial Ratio = -1.99994516