(1s 2 2s 2 2p 5 4p 1 ) 3 S Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | 6.316113 | .17428393 |
| 2 | 3p | 1.083092 | 1.92051405 |
| 3 | 4p | 2.330906 | -1.16655816 |
| 4 | 5p | 4.330298 | -.15514654 |
| 5 | 3p | 10.840663 | -.00778231 |
| 6 | 5p | 1.085568 | -.46199091 |
| 7 | 4p | .739078 | .23304720 |
| 8 | 5p | 38.821536 | -.00007116 |
| 9 | 3p | .370144 | -.18466702 |
| 10 | 5p | .460030 | .10620551 |
| ORB.ENERGY,a.u. | -.999830 | ||
| NORM | .999999 | < R > | 3.591363 | < R2 > | 14.588859 | < 1/R > | .391920 | < 1/R**2 > | .471038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.341941 | 1.26449744 |
| 2 | 3p | 5.140177 | -.34871932 |
| 3 | 2p | 10.443007 | .08010813 |
| 4 | 4p | 12.419137 | .01562542 |
| 5 | 4p | 1.735521 | .00390068 |
| 6 | 5p | 1.755071 | -.00472636 |
| 7 | 4p | 58.001505 | .00001781 |
| ORB.ENERGY,a.u. | -7.117800 | ||
| NORM | 1.000000 | < R > | .507328 | < R2 > | .319144 | < 1/R > | 2.561918 | < 1/R**2 > | 9.162534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.401369 | .36080608 |
| 2 | 2s | 5.636824 | -.82983334 |
| 3 | 3s | 4.906400 | -.30151556 |
| 4 | 4s | 17.752949 | .00460062 |
| 5 | 3s | 16.408333 | .00659858 |
| 6 | 5s | 35.280277 | .00034839 |
| 7 | 5s | 4.620376 | -.00361609 |
| 8 | 4s | 1.734502 | .00020212 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547437 | < R2 > | .354954 | < 1/R > | 2.662430 | < 1/R**2 > | 29.131304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199305 | .91834206 |
| 2 | 1s | 19.515319 | .07855306 |
| 3 | 2s | 7.787010 | .02031326 |
| 4 | 3s | 9.773527 | -.02094225 |
| 5 | 4s | 12.327571 | .01067329 |
| 6 | 5s | 33.184196 | .00087387 |
| 7 | 4s | 77.863163 | -.00004322 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111313 | < R2 > | .016656 | < 1/R > | 13.589981 | < 1/R**2 > | 372.754399 |
Total Energy= -280.07967565 a.u.
Kinetic Energy= 280.10150154 a.u.
Potential Energy= -560.18117718 a.u.
Virial Ratio = -1.99992208