(1s 2 2s 2 2p 6 4d 1 ) 2 D Al 2+
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 | .870415 | 1.32192570 |
| 2 | 4d | .751567 | -1.82554584 |
| 3 | 3d | 2.422091 | .12170717 |
| 4 | 4d | 3.004442 | -.07580637 |
| 5 | 5d | 5.800316 | -.00536439 |
| 6 | 4d | 14.842283 | .00012740 |
| 7 | 3d | 22.465390 | .00001459 |
| ORB.ENERGY,a.u. | -.287870 | ||
| NORM | .999997 | < R > | 6.774654 | < R2 > | 52.756268 | < 1/R > | .198739 | < 1/R**2 > | .067477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.148065 | .54205723 |
| 2 | 3p | 4.658944 | .45376565 |
| 3 | 4p | 3.763735 | .10135622 |
| 4 | 5p | 4.505468 | .00724255 |
| 5 | 2p | 13.767540 | .01119213 |
| 6 | 5p | 10.938333 | -.00852152 |
| 7 | 4p | 46.699742 | .00003261 |
| 8 | 4p | 2.867636 | .00327711 |
| 9 | 3p | 71.150656 | .00000379 |
| 10 | 5p | .808469 | -.00005235 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596293 | < R2 > | .447395 | < 1/R > | 2.215427 | < 1/R**2 > | 6.969037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.769560 | .33369965 |
| 2 | 4s | 1.946335 | -.00638924 |
| 3 | 2s | 5.102627 | -.79958636 |
| 4 | 3s | 4.168029 | -.32979532 |
| 5 | 4s | 17.459413 | .01131457 |
| 6 | 3s | 28.002196 | .00209550 |
| 7 | 5s | 30.620276 | .00124609 |
| 8 | 5s | 2.132269 | .00489358 |
| 9 | 2s | 53.777883 | .00006947 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619505 | < R2 > | .457846 | < 1/R > | 2.350182 | < 1/R**2 > | 22.814822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586550 | 1.01575091 |
| 2 | 2s | 17.932738 | -.02458902 |
| 3 | 3s | 8.796822 | .02359545 |
| 4 | 4s | 40.464577 | -.00023242 |
| 5 | 4s | 30.211129 | .00036112 |
| 6 | 2s | 63.850551 | .00003191 |
| 7 | 5s | 10.843991 | -.00897579 |
| 8 | 3s | 4.327886 | .00028157 |
| 9 | 2s | 131.801646 | -.00000020 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120256 | < R2 > | .019458 | < 1/R > | 12.589466 | < 1/R**2 > | 320.139984 |
Total Energy= -240.28951768 a.u.
Kinetic Energy= 240.28823357 a.u.
Potential Energy= -480.57775124 a.u.
Virial Ratio = -2.00000534