(1s 2 2s 2 2p 2 4d 1 ) 2 F Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 2.025855 | 1.32696296 |
| 2 | 4d | 1.746545 | -1.83142725 |
| 3 | 3d | 4.799146 | .04253326 |
| 4 | 4d | 1.714932 | -.00004296 |
| 5 | 5d | 1.387748 | .00373235 |
| 6 | 5d | 7.078263 | -.01068597 |
| 7 | 3d | 14.690532 | .00021311 |
| ORB.ENERGY,a.u. | -1.563200 | ||
| NORM | .999999 | < R > | 2.920151 | < R2 > | 9.780102 | < 1/R > | .456108 | < 1/R**2 > | .344278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.840213 | 1.18291255 |
| 2 | 3p | 5.793708 | -.20556284 |
| 3 | 2p | 12.961465 | .01902821 |
| 4 | 4p | 15.060155 | .00731777 |
| 5 | 5p | 21.580821 | -.00153676 |
| 6 | 5p | 2.982987 | .00070897 |
| 7 | 4p | 57.152513 | .00003644 |
| ORB.ENERGY,a.u. | -9.946600 | ||
| NORM | 1.000000 | < R > | .490687 | < R2 > | .293266 | < 1/R > | 2.595322 | < 1/R**2 > | 9.197402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.518491 | .38758766 |
| 2 | 2s | 5.410266 | -.83547366 |
| 3 | 3s | 5.633012 | -.27294698 |
| 4 | 4s | 21.069462 | .00251920 |
| 5 | 3s | 12.794566 | .01544336 |
| 6 | 5s | 5.588323 | -.03751225 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554023 | < R2 > | .360467 | < 1/R > | 2.632913 | < 1/R**2 > | 28.184971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996550 |
| 2 | 1s | 18.806645 | .07951231 |
| 3 | 2s | 11.306091 | .01918386 |
| 4 | 3s | 14.398811 | -.01548742 |
| 5 | 5s | 30.696404 | .00111351 |
| 6 | 4s | 73.292017 | -.00004075 |
| 7 | 5s | 9.715816 | .00057532 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019192 | < 1/R > | 12.632534 | < 1/R**2 > | 321.820487 |
Total Energy= -215.81799080 a.u.
Kinetic Energy= 215.79367916 a.u.
Potential Energy= -431.61166996 a.u.
Virial Ratio = -2.00011266