(1s 2 2s 1 2p 1 ) 3 P Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 5.401409 | .95783567 |
| 2 | 2p | 9.435784 | .02733740 |
| 3 | 2p | 15.606947 | .00678968 |
| 4 | 3p | 5.494954 | .03614824 |
| 5 | 4p | 6.790320 | -.01968045 |
| 6 | 5p | 48.800772 | .00004229 |
| 7 | 3p | 45.085152 | .00003200 |
| ORB.ENERGY,a.u. | -13.917000 | ||
| NORM | 1.000000 | < R > | .457535 | < R2 > | .252557 | < 1/R > | 2.753473 | < 1/R**2 > | 10.230005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.909034 | .39160058 |
| 2 | 2s | 5.292916 | -.79050117 |
| 3 | 3s | 6.532103 | -.29456430 |
| 4 | 5s | 11.735641 | -.02294750 |
| 5 | 4s | 23.961173 | .00417842 |
| 6 | 5s | 33.447719 | -.00083732 |
| ORB.ENERGY,a.u. | -14.741000 | ||
| NORM | 1.000000 | < R > | .522716 | < R2 > | .319033 | < 1/R > | 2.804247 | < 1/R**2 > | 31.758345 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.427605 | .93790837 |
| 2 | 1s | 19.778398 | .05101488 |
| 3 | 2s | 14.483773 | .01457546 |
| 4 | 3s | 13.912891 | .00156614 |
| 5 | 4s | 49.863113 | -.00058765 |
| 6 | 5s | 65.486055 | .00022266 |
| 7 | 5s | 14.247304 | .00206459 |
| 8 | 4s | 6.279593 | -.00012328 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119218 | < R2 > | .019045 | < 1/R > | 12.658368 | < 1/R**2 > | 322.862209 |
Total Energy= -190.91644372 a.u.
Kinetic Energy= 191.09300095 a.u.
Potential Energy= -382.00944467 a.u.
Virial Ratio = -1.99907607