(1s 2 2s 2 2p 4 5p 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 3.339770 | .19842079 |
| 2 | 3p | 1.453061 | -1.63178395 |
| 3 | 4p | 1.291056 | 3.58346691 |
| 4 | 5p | 1.082453 | -2.59162810 |
| 5 | 5p | 18.321940 | -.00146296 |
| 6 | 4p | 26.959561 | -.00050899 |
| 7 | 2p | 1.786281 | -.13662404 |
| 8 | 2p | 6.912547 | .05529209 |
| 9 | 4p | .626866 | .00415747 |
| 10 | 5p | 89.473974 | -.00000763 |
| ORB.ENERGY,a.u. | -.593660 | ||
| NORM | .999999 | < R > | 6.146863 | < R2 > | 42.473632 | < 1/R > | .233172 | < 1/R**2 > | .206958 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.140579 | 1.23608983 |
| 2 | 4p | .694141 | -.00617126 |
| 3 | 3p | 4.848430 | -.31199728 |
| 4 | 2p | 10.068917 | .06866409 |
| 5 | 4p | 12.007270 | .01951714 |
| 6 | 5p | .827085 | .00672452 |
| 7 | 5p | 16.390633 | -.00200584 |
| 8 | 4p | 44.727796 | .00007043 |
| 9 | 3p | 68.892743 | .00000751 |
| ORB.ENERGY,a.u. | -6.701300 | ||
| NORM | 1.000000 | < R > | .537396 | < R2 > | .356386 | < 1/R > | 2.406003 | < 1/R**2 > | 8.039248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.572439 | .36308053 |
| 2 | 2s | 5.225697 | -.84210464 |
| 3 | 3s | 4.573354 | -.29832817 |
| 4 | 4s | 15.752231 | .00773429 |
| 5 | 3s | 16.284516 | .00633297 |
| 6 | 5s | 31.698647 | .00046463 |
| 7 | 5s | 5.552812 | .00707216 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585330 | < R2 > | .404981 | < 1/R > | 2.486634 | < 1/R**2 > | 25.339276 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252346 | .92403123 |
| 2 | 1s | 18.422114 | .07306978 |
| 3 | 2s | 7.088171 | .02048725 |
| 4 | 3s | 8.754989 | -.02086696 |
| 5 | 4s | 11.089915 | .00995191 |
| 6 | 5s | 30.518712 | .00084759 |
| 7 | 4s | 67.913772 | -.00005834 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120005 | < R2 > | .019355 | < 1/R > | 12.605409 | < 1/R**2 > | 320.757285 |
Total Energy= -230.63343274 a.u.
Kinetic Energy= 230.64111092 a.u.
Potential Energy= -461.27454367 a.u.
Virial Ratio = -1.99996671