(1s 2 2s 2 2p 2 5d 1 ) 2 F Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 1.731662 | 1.70381906 |
| 2 | 4d | 1.516034 | -4.53387721 |
| 3 | 5d | 1.393234 | 3.50281118 |
| 4 | 3d | 4.495683 | .04142986 |
| 5 | 5d | 6.897331 | -.01123903 |
| 6 | 4d | 19.983380 | .00017045 |
| 7 | 5d | .980915 | -.00593477 |
| 8 | 5d | 66.930500 | .00000938 |
| ORB.ENERGY,a.u. | -.997320 | ||
| NORM | 1.000001 | < R > | 4.828023 | < R2 > | 26.488210 | < 1/R > | .289860 | < 1/R**2 > | .175678 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.832593 | 1.17673467 |
| 2 | 3p | 5.750660 | -.20120620 |
| 3 | 2p | 12.766220 | .02073832 |
| 4 | 4p | 15.011478 | .00806569 |
| 5 | 5p | 3.170547 | .00039942 |
| 6 | 5p | 21.595695 | -.00173461 |
| 7 | 4p | 58.744259 | .00003460 |
| ORB.ENERGY,a.u. | -10.141000 | ||
| NORM | 1.000000 | < R > | .490532 | < R2 > | .293032 | < 1/R > | 2.595811 | < 1/R**2 > | 9.200029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.526985 | .38738901 |
| 2 | 2s | 5.404245 | -.83563229 |
| 3 | 3s | 5.644970 | -.27282310 |
| 4 | 4s | 21.188732 | .00246612 |
| 5 | 3s | 12.803159 | .01532196 |
| 6 | 5s | 5.590444 | -.03643172 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .553616 | < R2 > | .359877 | < 1/R > | 2.634768 | < 1/R**2 > | 28.221462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159524 | .91996492 |
| 2 | 1s | 18.806411 | .07951325 |
| 3 | 2s | 11.304991 | .01918447 |
| 4 | 3s | 14.397389 | -.01548814 |
| 5 | 5s | 30.686009 | .00111327 |
| 6 | 4s | 73.298720 | -.00004100 |
| 7 | 5s | 9.729693 | .00057327 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019192 | < 1/R > | 12.632519 | < 1/R**2 > | 321.819769 |
Total Energy= -215.24034383 a.u.
Kinetic Energy= 215.22775851 a.u.
Potential Energy= -430.46810235 a.u.
Virial Ratio = -2.00005847