(1s 2 2s 2 2p 5 5d 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | 1.088327 | 1.19980242 |
| 2 | 4d | .866449 | -4.04106895 |
| 3 | 5d | .812494 | 3.49870785 |
| 4 | 3d | 2.427750 | .09659039 |
| 5 | 5d | 3.693191 | -.02513127 |
| 6 | 4d | 7.460342 | .00603902 |
| 7 | 5d | 14.296870 | .00009222 |
| 8 | 3d | 10.449732 | .00105426 |
| ORB.ENERGY,a.u. | -.333390 | ||
| NORM | .999997 | < R > | 8.221000 | < R2 > | 76.968624 | < 1/R > | .173526 | < 1/R**2 > | .067365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.839183 | 1.29944946 |
| 2 | 3p | 4.571244 | -.38990980 |
| 3 | 2p | 9.535840 | .08670447 |
| 4 | 4p | 11.213079 | .01858315 |
| 5 | 5p | 77.568062 | .00001005 |
| 6 | 5p | 2.664969 | .01062697 |
| 7 | 4p | 2.331153 | -.01162206 |
| ORB.ENERGY,a.u. | -5.404400 | ||
| NORM | 1.000000 | < R > | .565473 | < R2 > | .398132 | < 1/R > | 2.309630 | < 1/R**2 > | 7.487084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.645493 | .34926500 |
| 2 | 2s | 5.137151 | -.82785191 |
| 3 | 3s | 4.361946 | -.30188362 |
| 4 | 4s | 16.833265 | .00522955 |
| 5 | 3s | 15.396167 | .00651156 |
| 6 | 5s | 34.401772 | .00028498 |
| 7 | 5s | 3.626895 | -.00085138 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602005 | < R2 > | .430199 | < 1/R > | 2.417280 | < 1/R**2 > | 24.039277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197340 | .91349990 |
| 2 | 1s | 18.070382 | .08416444 |
| 3 | 2s | 6.985513 | .01939808 |
| 4 | 3s | 8.837567 | -.02058873 |
| 5 | 4s | 11.208717 | .01068123 |
| 6 | 5s | 31.069988 | .00096720 |
| 7 | 4s | 73.100783 | -.00003959 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120144 | < R2 > | .019412 | < 1/R > | 12.596509 | < 1/R**2 > | 320.411970 |
Total Energy= -235.97330844 a.u.
Kinetic Energy= 235.97626620 a.u.
Potential Energy= -471.94957463 a.u.
Virial Ratio = -1.99998747