(1s 2 2s 2 2p 1 3p 1 ) 3 S Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 4.049984 | .59420182 |
| 2 | 3p | 2.816493 | -1.30304802 |
| 3 | 2p | 8.437632 | .07778416 |
| 4 | 4p | 9.955165 | .01834309 |
| 5 | 5p | 2.705812 | .03406125 |
| 6 | 4p | 2.375938 | -.02391503 |
| 7 | 5p | 16.838180 | .00149427 |
| ORB.ENERGY,a.u. | -4.059400 | ||
| NORM | 1.000000 | < R > | 1.370680 | < R2 > | 2.147135 | < 1/R > | .987832 | < 1/R**2 > | 2.020861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.205668 | 1.07699857 |
| 2 | 3p | 6.212840 | -.09910806 |
| 3 | 2p | 12.656745 | .01759409 |
| 4 | 5p | 14.879502 | .00256592 |
| 5 | 4p | 26.429409 | -.00044060 |
| 6 | 5p | 5.182881 | .01521283 |
| 7 | 5p | 83.479351 | -.00000631 |
| 8 | 4p | 4.822908 | -.00318541 |
| ORB.ENERGY,a.u. | -11.279000 | ||
| NORM | 1.000000 | < R > | .470530 | < R2 > | .268746 | < 1/R > | 2.693474 | < 1/R**2 > | 9.844490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.339934 | .35510624 |
| 2 | 2s | 4.728599 | -.80109697 |
| 3 | 3s | 6.983579 | -.27822649 |
| 4 | 4s | 24.409730 | .00145940 |
| 5 | 5s | 13.725483 | -.01242614 |
| 6 | 5s | 5.558430 | .01569760 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .541229 | < R2 > | .343357 | < 1/R > | 2.699714 | < 1/R**2 > | 29.529624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.170721 | .92371167 |
| 2 | 1s | 18.830774 | .07729525 |
| 3 | 2s | 10.960397 | .01816570 |
| 4 | 3s | 13.814461 | -.01652790 |
| 5 | 4s | 67.921563 | -.00005873 |
| 6 | 5s | 29.978705 | .00101266 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119381 | < R2 > | .019108 | < 1/R > | 12.646576 | < 1/R**2 > | 322.371454 |
Total Energy= -207.81528617 a.u.
Kinetic Energy= 207.82679195 a.u.
Potential Energy= -415.64207812 a.u.
Virial Ratio = -1.99994464