(1s 2 2s 2 2p 1 3d 1 ) 1 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 2.794390 | 1.09484887 |
| 2 | 3d | 5.984197 | .03644704 |
| 3 | 4d | 3.242751 | -.11988827 |
| 4 | 5d | 17.989840 | -.00029560 |
| 5 | 4d | 48.427392 | .00000515 |
| ORB.ENERGY,a.u. | -3.755200 | ||
| NORM | 1.000000 | < R > | 1.214345 | < R2 > | 1.701053 | < 1/R > | .973042 | < 1/R**2 > | 1.156176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.140219 | 1.08807033 |
| 2 | 3p | 6.468550 | -.11288781 |
| 3 | 2p | 11.907944 | .02064931 |
| 4 | 5p | 13.927570 | .00458824 |
| 5 | 4p | 26.830803 | -.00060404 |
| 6 | 5p | 4.895735 | .01013961 |
| 7 | 5p | 83.091708 | -.00001244 |
| ORB.ENERGY,a.u. | -11.260000 | ||
| NORM | 1.000000 | < R > | .476968 | < R2 > | .276507 | < 1/R > | 2.661879 | < 1/R**2 > | 9.636524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.355216 | .35451944 |
| 2 | 2s | 4.715576 | -.79975822 |
| 3 | 3s | 7.039417 | -.27723825 |
| 4 | 4s | 24.639631 | .00135784 |
| 5 | 5s | 13.750370 | -.01323940 |
| 6 | 5s | 5.323518 | .01438418 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541128 | < R2 > | .343301 | < 1/R > | 2.700659 | < 1/R**2 > | 29.547262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.173362 | .92272179 |
| 2 | 1s | 18.749203 | .07833634 |
| 3 | 2s | 10.850878 | .01798215 |
| 4 | 3s | 13.580541 | -.01651394 |
| 5 | 4s | 66.621848 | -.00006040 |
| 6 | 5s | 30.272083 | .00095906 |
| 7 | 4s | 6.271207 | .00008399 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119323 | < R2 > | .019086 | < 1/R > | 12.650881 | < 1/R**2 > | 322.545736 |
Total Energy= -207.46312864 a.u.
Kinetic Energy= 207.52513488 a.u.
Potential Energy= -414.98826352 a.u.
Virial Ratio = -1.99970121