(1s 2 2s 1 4d 1 ) 1 D Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 2.606978 | 1.83608945 |
| 2 | 4d | 2.498599 | -2.34010625 |
| 3 | 3d | 7.863090 | .00987264 |
| 4 | 4d | 8.335444 | -.00308858 |
| 5 | 5d | 23.502080 | -.00035467 |
| 6 | 5d | 2.273610 | -.00233190 |
| 7 | 4d | 40.969718 | -.00003271 |
| ORB.ENERGY,a.u. | -3.130300 | ||
| NORM | .999999 | < R > | 2.091966 | < R2 > | 5.010035 | < 1/R > | .630884 | < 1/R**2 > | .643218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.781794 | .40892073 |
| 2 | 2s | 5.476180 | -.79244634 |
| 3 | 3s | 6.613634 | -.30115435 |
| 4 | 5s | 11.497144 | -.02753269 |
| 5 | 4s | 23.133077 | .00616391 |
| 6 | 5s | 30.681606 | -.00135590 |
| 7 | 5s | 3.256638 | -.00021660 |
| 8 | 3s | 47.641022 | .00006422 |
| ORB.ENERGY,a.u. | -15.586000 | ||
| NORM | 1.000000 | < R > | .512258 | < R2 > | .306135 | < 1/R > | 2.871998 | < 1/R**2 > | 33.277464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434307 | .94063573 |
| 2 | 1s | 20.096536 | .04872641 |
| 3 | 2s | 15.170432 | .01478497 |
| 4 | 3s | 9.674940 | .00209990 |
| 5 | 4s | 51.190863 | -.00055768 |
| 6 | 5s | 67.990941 | .00020528 |
| 7 | 5s | 6.842609 | .00018334 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118994 | < R2 > | .018964 | < 1/R > | 12.675116 | < 1/R**2 > | 323.541923 |
Total Energy= -180.44343822 a.u.
Kinetic Energy= 180.31603225 a.u.
Potential Energy= -360.75947047 a.u.
Virial Ratio = -2.00070657