(1s 2 2s 2 4d 1 ) 2 D Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 2.290867 | 1.91051013 |
| 2 | 4d | 2.285588 | -2.49533271 |
| 3 | 3d | 6.260189 | .03031104 |
| 4 | 4d | 4.618274 | .03936002 |
| 5 | 5d | 19.770386 | -.00029299 |
| 6 | 5d | 1.470620 | -.00062257 |
| ORB.ENERGY,a.u. | -2.586800 | ||
| NORM | 1.000000 | < R > | 2.273850 | < R2 > | 5.919241 | < 1/R > | .582198 | < 1/R**2 > | .554552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.947637 | .38646089 |
| 2 | 2s | 5.258261 | -.78307559 |
| 3 | 3s | 6.553654 | -.29632778 |
| 4 | 5s | 12.508726 | -.02056051 |
| 5 | 4s | 25.704442 | .00314845 |
| 6 | 5s | 6.252619 | -.00675155 |
| 7 | 5s | 37.349820 | -.00055938 |
| 8 | 4s | 2.354399 | .00010787 |
| ORB.ENERGY,a.u. | -13.906000 | ||
| NORM | 1.000000 | < R > | .525214 | < R2 > | .322363 | < 1/R > | 2.786946 | < 1/R**2 > | 31.310630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.273719 | .94137557 |
| 2 | 1s | 20.102777 | .05700295 |
| 3 | 2s | 12.944269 | .01989810 |
| 4 | 3s | 14.894391 | -.01631441 |
| 5 | 5s | 28.310942 | .00115034 |
| 6 | 4s | 63.553492 | -.00008853 |
| ORB.ENERGY,a.u. | -71.310000 |
| NORM | 1.000000 | < R > | .119022 | < R2 > | .018970 | < 1/R > | 12.671489 | < 1/R**2 > | 323.362655 |
Total Energy= -194.23432969 a.u.
Kinetic Energy= 194.23044242 a.u.
Potential Energy= -388.46477211 a.u.
Virial Ratio = -2.00002001