(1s 2 2s 1 3p 1 ) 1 P Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 4.092900 | .99004437 |
| 2 | 3p | 3.366930 | -1.59515986 |
| 3 | 5p | 2.976798 | .00269094 |
| 4 | 2p | 10.482029 | .03112799 |
| 5 | 4p | 13.220198 | .00849691 |
| 6 | 3p | 31.754409 | .00007002 |
| ORB.ENERGY,a.u. | -5.792600 | ||
| NORM | 1.000000 | < R > | 1.197920 | < R2 > | 1.653097 | < 1/R > | 1.164845 | < 1/R**2 > | 2.804880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.638568 | .41582260 |
| 2 | 2s | 5.628281 | -.78620057 |
| 3 | 3s | 6.343078 | -.31189742 |
| 4 | 5s | 10.781343 | -.03451616 |
| 5 | 4s | 23.119656 | .00797152 |
| 6 | 5s | 30.492637 | -.00215368 |
| 7 | 4s | 3.762527 | .00089497 |
| 8 | 3s | 54.194483 | .00006910 |
| ORB.ENERGY,a.u. | -15.222000 | ||
| NORM | 1.000000 | < R > | .513241 | < R2 > | .307035 | < 1/R > | 2.863362 | < 1/R**2 > | 33.080184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.428796 | .94053954 |
| 2 | 1s | 20.088103 | .04886610 |
| 3 | 2s | 15.039106 | .01476694 |
| 4 | 3s | 8.260569 | .00181964 |
| 5 | 4s | 51.507828 | -.00056878 |
| 6 | 5s | 68.755143 | .00020912 |
| 7 | 5s | 16.571781 | .00077577 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119090 | < R2 > | .019001 | < 1/R > | 12.668400 | < 1/R**2 > | 323.272884 |
Total Energy= -183.01402483 a.u.
Kinetic Energy= 182.97457614 a.u.
Potential Energy= -365.98860096 a.u.
Virial Ratio = -2.00021560