(1s 2 2s 2 2p 2 3p 1 ) 2 S Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 4.192999 | .65009388 |
| 2 | 3p | 2.590228 | -1.23957452 |
| 3 | 2p | 10.766517 | .02553202 |
| 4 | 4p | 6.541910 | -.06987274 |
| 5 | 5p | 16.351744 | .00235114 |
| 6 | 5p | 2.669125 | .01658790 |
| ORB.ENERGY,a.u. | -3.339000 | ||
| NORM | 1.000000 | < R > | 1.463976 | < R2 > | 2.455440 | < 1/R > | .931116 | < 1/R**2 > | 1.832612 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.728410 | 1.17964354 |
| 2 | 3p | 5.469437 | -.21893801 |
| 3 | 2p | 11.500537 | .03299359 |
| 4 | 4p | 2.244825 | .00477143 |
| 5 | 4p | 12.636291 | .00854055 |
| 6 | 5p | 28.038529 | -.00027518 |
| 7 | 5p | 2.312637 | -.00252063 |
| ORB.ENERGY,a.u. | -9.672800 | ||
| NORM | 1.000000 | < R > | .492928 | < R2 > | .296408 | < 1/R > | 2.586672 | < 1/R**2 > | 9.145110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.534136 | .38541285 |
| 2 | 2s | 5.387823 | -.83602897 |
| 3 | 3s | 5.593211 | -.27316918 |
| 4 | 4s | 21.184767 | .00244952 |
| 5 | 3s | 12.746631 | .01533188 |
| 6 | 5s | 5.382266 | -.03561081 |
| 7 | 5s | 3.119828 | -.00036455 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555993 | < R2 > | .363317 | < 1/R > | 2.623853 | < 1/R**2 > | 28.008772 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.156883 | .92036988 |
| 2 | 1s | 18.837796 | .07913706 |
| 3 | 2s | 11.309404 | .01919762 |
| 4 | 3s | 14.446344 | -.01546054 |
| 5 | 5s | 30.496154 | .00107371 |
| 6 | 4s | 71.693104 | -.00004565 |
| 7 | 5s | 10.471944 | .00062311 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119637 | < R2 > | .019208 | < 1/R > | 12.629427 | < 1/R**2 > | 321.695806 |
Total Energy= -217.46913985 a.u.
Kinetic Energy= 217.56765419 a.u.
Potential Energy= -435.03679404 a.u.
Virial Ratio = -1.99954720