(1s 2 2s 2 2p 4 3d 1 ) 4 F Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 1.796395 | 1.13152315 |
| 2 | 3d | 4.902994 | .04599903 |
| 3 | 4d | 2.287783 | -.16364638 |
| 4 | 5d | 7.400309 | -.00265472 |
| 5 | 5d | 1.678664 | .01573568 |
| 6 | 4d | 29.976478 | .00003188 |
| ORB.ENERGY,a.u. | -1.459200 | ||
| NORM | 1.000000 | < R > | 1.923895 | < R2 > | 4.296554 | < 1/R > | .621532 | < 1/R**2 > | .482296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.796909 | 1.38889118 |
| 2 | 3p | 4.407067 | -.48732743 |
| 3 | 2p | 9.388179 | .09670584 |
| 4 | 4p | 10.480341 | .01677020 |
| 5 | 5p | 16.612188 | .00184211 |
| 6 | 5p | 3.284599 | .01035888 |
| 7 | 4p | 10.378197 | .00357233 |
| 8 | 4p | 3.419946 | -.03647953 |
| ORB.ENERGY,a.u. | -6.261500 | ||
| NORM | 1.000000 | < R > | .539076 | < R2 > | .359184 | < 1/R > | 2.401453 | < 1/R**2 > | 8.015900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.559334 | .36336298 |
| 2 | 2s | 5.246615 | -.83759553 |
| 3 | 3s | 4.619030 | -.29612378 |
| 4 | 4s | 15.581441 | .00970112 |
| 5 | 3s | 17.419776 | .00525774 |
| 6 | 5s | 30.698697 | .00057809 |
| 7 | 5s | 4.076608 | -.00403606 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .586244 | < R2 > | .406540 | < 1/R > | 2.483660 | < 1/R**2 > | 25.287141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252795 | .92403207 |
| 2 | 1s | 18.422758 | .07306489 |
| 3 | 2s | 7.098190 | .02044297 |
| 4 | 3s | 8.772015 | -.02082491 |
| 5 | 4s | 11.108997 | .00991802 |
| 6 | 5s | 30.788148 | .00086333 |
| 7 | 4s | 67.385842 | -.00005238 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119996 | < R2 > | .019352 | < 1/R > | 12.606027 | < 1/R**2 > | 320.782152 |
Total Energy= -231.50294598 a.u.
Kinetic Energy= 231.50687372 a.u.
Potential Energy= -463.00981970 a.u.
Virial Ratio = -1.99998303