(1s 2 2s 2 2p 2 3p 1 ) 4 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 4.160626 | .66484777 |
| 2 | 3p | 2.606115 | -1.27525955 |
| 3 | 2p | 11.060061 | .02253518 |
| 4 | 4p | 6.801846 | -.06882960 |
| 5 | 5p | 16.329202 | .00217437 |
| 6 | 5p | 4.234777 | .03499660 |
| ORB.ENERGY,a.u. | -3.300000 | ||
| NORM | 1.000000 | < R > | 1.476687 | < R2 > | 2.496232 | < 1/R > | .920461 | < 1/R**2 > | 1.789820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.700530 | 1.20548757 |
| 2 | 3p | 5.403004 | -.24477179 |
| 3 | 2p | 11.609875 | .03159692 |
| 4 | 4p | 12.776266 | .00785748 |
| 5 | 5p | 28.005809 | -.00028320 |
| 6 | 5p | 3.216604 | .00257352 |
| ORB.ENERGY,a.u. | -9.633800 | ||
| NORM | 1.000000 | < R > | .492512 | < R2 > | .295992 | < 1/R > | 2.589081 | < 1/R**2 > | 9.161447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.535342 | .38537800 |
| 2 | 2s | 5.387080 | -.83598387 |
| 3 | 3s | 5.593747 | -.27323165 |
| 4 | 4s | 21.175150 | .00245231 |
| 5 | 3s | 12.757823 | .01526483 |
| 6 | 5s | 5.380787 | -.03541482 |
| 7 | 5s | 3.097009 | -.00036318 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555947 | < R2 > | .363250 | < 1/R > | 2.624064 | < 1/R**2 > | 28.012992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.156746 | .92062243 |
| 2 | 1s | 18.857637 | .07888986 |
| 3 | 2s | 11.357837 | .01918331 |
| 4 | 3s | 14.458601 | -.01545038 |
| 5 | 5s | 30.523343 | .00103390 |
| 6 | 4s | 70.082065 | -.00004846 |
| 7 | 5s | 10.561469 | .00066488 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119637 | < R2 > | .019208 | < 1/R > | 12.629427 | < 1/R**2 > | 321.695777 |
Total Energy= -217.47081032 a.u.
Kinetic Energy= 217.52865640 a.u.
Potential Energy= -434.99946672 a.u.
Virial Ratio = -1.99973408