(1s 2 2s 2 2p 1 3p 1 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.422885 | 1.04067429 |
| 2 | 3p | 2.886178 | -1.97942644 |
| 3 | 2p | 7.974128 | .02872474 |
| 4 | 4p | 6.281940 | .02593268 |
| 5 | 5p | 13.591173 | .00255386 |
| 6 | 5p | 2.685844 | -.02703681 |
| 7 | 4p | 30.598390 | -.00009205 |
| ORB.ENERGY,a.u. | -4.099700 | ||
| NORM | 1.000000 | < R > | 1.373978 | < R2 > | 2.088303 | < 1/R > | .825783 | < 1/R**2 > | .886305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.018225 | 1.02892048 |
| 2 | 3p | 2.708702 | -.33368184 |
| 3 | 2p | 9.014611 | .10293114 |
| 4 | 5p | 11.611880 | .00947334 |
| 5 | 4p | 20.864277 | -.00141784 |
| 6 | 5p | 2.835080 | .03615067 |
| 7 | 3p | 18.410323 | -.00197178 |
| 8 | 4p | 2.389191 | -.00989923 |
| ORB.ENERGY,a.u. | -11.319000 | ||
| NORM | 1.000000 | < R > | .452487 | < R2 > | .280695 | < 1/R > | 2.863269 | < 1/R**2 > | 10.988432 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.344090 | .35487924 |
| 2 | 2s | 4.724330 | -.80094525 |
| 3 | 3s | 6.996118 | -.27802421 |
| 4 | 4s | 24.568771 | .00145868 |
| 5 | 5s | 13.652664 | -.01248674 |
| 6 | 5s | 5.515688 | .01560884 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541280 | < R2 > | .343430 | < 1/R > | 2.699460 | < 1/R**2 > | 29.524483 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169081 | .92384127 |
| 2 | 1s | 18.829621 | .07733366 |
| 3 | 2s | 10.874098 | .01819589 |
| 4 | 3s | 13.706393 | -.01663875 |
| 5 | 4s | 64.159987 | -.00007059 |
| 6 | 5s | 30.147672 | .00087644 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119381 | < R2 > | .019108 | < 1/R > | 12.646592 | < 1/R**2 > | 322.372180 |
Total Energy= -207.86699372 a.u.
Kinetic Energy= 207.88486124 a.u.
Potential Energy= -415.75185496 a.u.
Virial Ratio = -1.99991405