(1s 2 2s 1 3d 1 ) 3 D Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3.382490 | .99919519 |
| 2 | 3d | 6.414498 | .02412820 |
| 3 | 4d | 12.094420 | -.00201177 |
| 4 | 5d | 4.149413 | -.01690929 |
| ORB.ENERGY,a.u. | -5.671900 | ||
| NORM | 1.000000 | < R > | 1.019594 | < R2 > | 1.191949 | < 1/R > | 1.149077 | < 1/R**2 > | 1.593188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.914149 | .39861113 |
| 2 | 2s | 5.328155 | -.79141912 |
| 3 | 3s | 6.758621 | -.29415251 |
| 4 | 5s | 11.863885 | -.02532983 |
| 5 | 4s | 24.271165 | .00445515 |
| 6 | 5s | 33.206015 | -.00099841 |
| 7 | 4s | 91.841157 | .00001018 |
| ORB.ENERGY,a.u. | -15.184000 | ||
| NORM | 1.000000 | < R > | .515421 | < R2 > | .310188 | < 1/R > | 2.852423 | < 1/R**2 > | 32.837879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434593 | .94074327 |
| 2 | 1s | 20.110260 | .04862575 |
| 3 | 2s | 15.198853 | .01479230 |
| 4 | 3s | 9.731630 | .00206284 |
| 5 | 4s | 50.991078 | -.00057583 |
| 6 | 5s | 67.574013 | .00021633 |
| 7 | 5s | 6.607544 | .00015831 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118986 | < R2 > | .018961 | < 1/R > | 12.675611 | < 1/R**2 > | 323.561419 |
Total Energy= -183.12253815 a.u.
Kinetic Energy= 182.85736355 a.u.
Potential Energy= -365.97990170 a.u.
Virial Ratio = -2.00145017