(1s 2 2s 2 2p 5 5p 1 ) 3 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 3.417874 | .11391467 |
| 2 | 3p | 1.451310 | -.99293703 |
| 3 | 4p | 1.007324 | 2.97855347 |
| 4 | 5p | .895031 | -2.74298283 |
| 5 | 2p | 7.179594 | .04137868 |
| 6 | 5p | 9.979650 | .00377895 |
| 7 | 4p | 24.832035 | -.00024526 |
| ORB.ENERGY,a.u. | -.392590 | ||
| NORM | .999997 | < R > | 7.426708 | < R2 > | 62.023267 | < 1/R > | .191785 | < 1/R**2 > | .142401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.839973 | 1.29908333 |
| 2 | 3p | 4.589877 | -.38803108 |
| 3 | 2p | 9.549532 | .08637402 |
| 4 | 4p | 11.052826 | .02154860 |
| 5 | 5p | 70.192890 | .00001465 |
| 6 | 5p | 2.836669 | .02224784 |
| 7 | 5p | 12.844699 | -.00167730 |
| 8 | 5p | .680605 | .00026997 |
| 9 | 4p | 2.492121 | -.02537299 |
| ORB.ENERGY,a.u. | -5.394400 | ||
| NORM | 1.000000 | < R > | .565454 | < R2 > | .398082 | < 1/R > | 2.309585 | < 1/R**2 > | 7.486538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.647019 | .34913246 |
| 2 | 2s | 5.133905 | -.82864966 |
| 3 | 3s | 4.359152 | -.30099464 |
| 4 | 4s | 16.737945 | .00526763 |
| 5 | 3s | 15.443898 | .00652307 |
| 6 | 5s | 34.026424 | .00029357 |
| 7 | 5s | 3.641382 | -.00076868 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602082 | < R2 > | .430304 | < 1/R > | 2.416903 | < 1/R**2 > | 24.031985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91349858 |
| 2 | 1s | 18.069941 | .08416740 |
| 3 | 2s | 6.981853 | .01941426 |
| 4 | 3s | 8.831577 | -.02060241 |
| 5 | 4s | 11.201725 | .01069370 |
| 6 | 5s | 30.966279 | .00096129 |
| 7 | 4s | 73.143819 | -.00004203 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120148 | < R2 > | .019413 | < 1/R > | 12.596282 | < 1/R**2 > | 320.402892 |
Total Energy= -236.03342127 a.u.
Kinetic Energy= 236.03538831 a.u.
Potential Energy= -472.06880958 a.u.
Virial Ratio = -1.99999167