(1s 2 2s 2 2p 1 3d 1 ) 3 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 6.336603 | .02334553 |
| 2 | 4d | 3.241139 | -.08730421 |
| 3 | 5d | 16.265088 | -.00026507 |
| 4 | 4d | 40.971078 | .00001301 |
| 5 | 3d | 2.754056 | 1.07288719 |
| ORB.ENERGY,a.u. | -3.685400 | ||
| NORM | 1.000000 | < R > | 1.246553 | < R2 > | 1.787722 | < 1/R > | .944850 | < 1/R**2 > | 1.086151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.159302 | 1.08871611 |
| 2 | 3p | 6.379750 | -.10772644 |
| 3 | 2p | 12.463536 | .01834141 |
| 4 | 5p | 15.096895 | .00350955 |
| 5 | 4p | 27.582912 | -.00031718 |
| 6 | 5p | 5.305062 | .00774657 |
| 7 | 5p | 87.416911 | -.00000445 |
| 8 | 3p | 3.333280 | -.00373761 |
| ORB.ENERGY,a.u. | -11.190000 | ||
| NORM | 1.000000 | < R > | .473194 | < R2 > | .271513 | < 1/R > | 2.677746 | < 1/R**2 > | 9.735064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.353407 | .35470217 |
| 2 | 2s | 4.717849 | -.79989261 |
| 3 | 3s | 7.035230 | -.27735461 |
| 4 | 4s | 24.673749 | .00135974 |
| 5 | 5s | 13.729893 | -.01325035 |
| 6 | 5s | 5.335682 | .01466329 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .540980 | < R2 > | .343090 | < 1/R > | 2.701389 | < 1/R**2 > | 29.562497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175466 | .92364773 |
| 2 | 1s | 18.809707 | .07734092 |
| 3 | 2s | 11.025420 | .01789585 |
| 4 | 3s | 13.762982 | -.01641325 |
| 5 | 4s | 68.669427 | -.00005508 |
| 6 | 5s | 30.167770 | .00103755 |
| 7 | 5s | 7.843103 | .00010283 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119326 | < R2 > | .019088 | < 1/R > | 12.650622 | < 1/R**2 > | 322.535210 |
Total Energy= -207.46427904 a.u.
Kinetic Energy= 207.45525037 a.u.
Potential Energy= -414.91952942 a.u.
Virial Ratio = -2.00004352