(1s 2 2s 2 2p 4 4p 1 ) 2 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 5.902766 | .16654040 |
| 2 | 3p | 1.110313 | 2.00483116 |
| 3 | 4p | 2.172743 | -1.38973914 |
| 4 | 5p | 4.001524 | -.16885815 |
| 5 | 3p | 9.396639 | -.00840224 |
| 6 | 5p | 1.053550 | -.24885698 |
| 7 | 4p | 47.238860 | -.00002839 |
| 8 | 4p | .688047 | .10463258 |
| 9 | 5p | 30.611991 | -.00019071 |
| 10 | 5p | .677027 | -.03790987 |
| ORB.ENERGY,a.u. | -.955160 | ||
| NORM | 1.000000 | < R > | 3.759655 | < R2 > | 15.973729 | < 1/R > | .369022 | < 1/R**2 > | .395045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.152954 | 1.23620596 |
| 2 | 3p | 4.883765 | -.30936601 |
| 3 | 2p | 10.102068 | .06724266 |
| 4 | 4p | 11.919343 | .01846396 |
| 5 | 5p | 16.201659 | -.00147281 |
| 6 | 5p | 1.471009 | .00185313 |
| 7 | 4p | 48.943436 | .00004133 |
| 8 | 4p | 3.276202 | -.00142758 |
| ORB.ENERGY,a.u. | -6.550200 | ||
| NORM | 1.000000 | < R > | .537281 | < R2 > | .356206 | < 1/R > | 2.406194 | < 1/R**2 > | 8.039699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.573283 | .36282916 |
| 2 | 2s | 5.238989 | -.83633848 |
| 3 | 3s | 4.648584 | -.29492414 |
| 4 | 4s | 15.420792 | .00846537 |
| 5 | 3s | 16.615415 | .00614271 |
| 6 | 5s | 30.414892 | .00058380 |
| 7 | 5s | 4.482886 | -.00473057 |
| 8 | 4s | 1.565745 | .00019280 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585688 | < R2 > | .405532 | < 1/R > | 2.485183 | < 1/R**2 > | 25.312217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252776 | .92403428 |
| 2 | 1s | 18.434107 | .07295930 |
| 3 | 2s | 7.217875 | .02021921 |
| 4 | 3s | 8.902344 | -.02035895 |
| 5 | 4s | 11.213189 | .00986588 |
| 6 | 5s | 30.782190 | .00084898 |
| 7 | 4s | 67.026376 | -.00005443 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019357 | < 1/R > | 12.605104 | < 1/R**2 > | 320.745234 |
Total Energy= -231.00575397 a.u.
Kinetic Energy= 231.00242512 a.u.
Potential Energy= -462.00817910 a.u.
Virial Ratio = -2.00001441