(1s 2 2s 2 2p 1 4d 1 ) 3 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.374584 | 1.23832482 |
| 2 | 4d | 1.993457 | -1.75925076 |
| 3 | 3d | 5.097911 | .04225790 |
| 4 | 5d | 7.452579 | -.00663532 |
| 5 | 4d | 23.942678 | .00009227 |
| 6 | 5d | 1.775348 | .01708535 |
| 7 | 3d | 32.566580 | .00001371 |
| ORB.ENERGY,a.u. | -2.057000 | ||
| NORM | 1.000000 | < R > | 2.538464 | < R2 > | 7.384285 | < 1/R > | .523280 | < 1/R**2 > | .451069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.174111 | 1.08224178 |
| 2 | 3p | 6.406686 | -.10208400 |
| 3 | 2p | 12.568213 | .01801966 |
| 4 | 5p | 15.378295 | .00361545 |
| 5 | 4p | 28.630171 | -.00020953 |
| 6 | 5p | 5.280422 | .00531983 |
| 7 | 5p | 98.674857 | -.00000174 |
| 8 | 4p | 2.394822 | .00084952 |
| ORB.ENERGY,a.u. | -11.603000 | ||
| NORM | 1.000000 | < R > | .472779 | < R2 > | .271109 | < 1/R > | 2.680155 | < 1/R**2 > | 9.751318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339696 | .35636124 |
| 2 | 2s | 4.734032 | -.80180200 |
| 3 | 3s | 7.012173 | -.27839936 |
| 4 | 4s | 24.551809 | .00141764 |
| 5 | 5s | 13.740894 | -.01307926 |
| 6 | 5s | 5.257539 | .01836542 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .539260 | < R2 > | .340610 | < 1/R > | 2.709356 | < 1/R**2 > | 29.720453 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.175499 | .92362448 |
| 2 | 1s | 18.811157 | .07733864 |
| 3 | 2s | 11.025883 | .01794891 |
| 4 | 3s | 13.757987 | -.01642879 |
| 5 | 4s | 68.392493 | -.00005578 |
| 6 | 5s | 30.178161 | .00102795 |
| 7 | 5s | 7.854062 | .00009337 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119327 | < R2 > | .019088 | < 1/R > | 12.650555 | < 1/R**2 > | 322.531998 |
Total Energy= -205.83183991 a.u.
Kinetic Energy= 205.82677003 a.u.
Potential Energy= -411.65860994 a.u.
Virial Ratio = -2.00002463