(1s 2 2s 2 2p 1 5d 1 ) 3 F Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 2.120401 | 1.33164720 |
| 2 | 4d | 1.753651 | -3.92144940 |
| 3 | 5d | 1.599984 | 3.26678746 |
| 4 | 3d | 4.726943 | .06037464 |
| 5 | 5d | 6.990297 | -.01006822 |
| 6 | 5d | 1.272883 | -.02361301 |
| 7 | 4d | 29.577534 | .00004507 |
| 8 | 3d | 56.351940 | .00000172 |
| ORB.ENERGY,a.u. | -1.320800 | ||
| NORM | 1.000000 | < R > | 4.167576 | < R2 > | 19.716543 | < 1/R > | .334815 | < 1/R**2 > | .235108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.167442 | 1.08389780 |
| 2 | 3p | 6.289841 | -.10339042 |
| 3 | 2p | 12.786321 | .01744438 |
| 4 | 5p | 16.581563 | .00190671 |
| 5 | 4p | 27.711258 | -.00012323 |
| 6 | 5p | 5.661105 | .00978109 |
| 7 | 5p | 15.218809 | .00126805 |
| 8 | 3p | 3.549019 | -.00385998 |
| 9 | 3p | .800826 | .00021141 |
| ORB.ENERGY,a.u. | -11.805000 | ||
| NORM | 1.000000 | < R > | .472640 | < R2 > | .270806 | < 1/R > | 2.680173 | < 1/R**2 > | 9.750256 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339761 | .35667273 |
| 2 | 2s | 4.734484 | -.80263249 |
| 3 | 3s | 7.000813 | -.27845170 |
| 4 | 4s | 24.868578 | .00129801 |
| 5 | 5s | 13.745576 | -.01363946 |
| 6 | 5s | 5.318668 | .02031650 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538786 | < R2 > | .339954 | < 1/R > | 2.711738 | < 1/R**2 > | 29.768933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175390 | .92355424 |
| 2 | 1s | 18.808822 | .07739612 |
| 3 | 2s | 11.023577 | .01797545 |
| 4 | 3s | 13.752417 | -.01643917 |
| 5 | 4s | 68.331489 | -.00005594 |
| 6 | 5s | 30.182765 | .00102524 |
| 7 | 5s | 7.815083 | .00008919 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119326 | < R2 > | .019088 | < 1/R > | 12.650563 | < 1/R**2 > | 322.532141 |
Total Energy= -205.08228543 a.u.
Kinetic Energy= 205.09052621 a.u.
Potential Energy= -410.17281164 a.u.
Virial Ratio = -1.99995982