(1s 2 2s 2 2p 5 3p 1 ) 3 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 3.778700 | .39972464 |
| 2 | 3p | 1.717067 | -1.06176582 |
| 3 | 4p | 5.807927 | -.07480739 |
| 4 | 2p | 9.548962 | .03179663 |
| 5 | 5p | 15.567312 | .00197025 |
| 6 | 5p | 1.572256 | -.01147795 |
| 7 | 3p | 29.520667 | -.00001912 |
| ORB.ENERGY,a.u. | -1.295300 | ||
| NORM | 1.000000 | < R > | 2.126829 | < R2 > | 5.177371 | < 1/R > | .623829 | < 1/R**2 > | .862179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.704649 | 1.32470565 |
| 2 | 3p | 4.339456 | -.43221231 |
| 3 | 2p | 9.243439 | .10273583 |
| 4 | 4p | 10.845892 | .02128931 |
| 5 | 5p | 2.543715 | .00866576 |
| 6 | 3p | 16.050092 | .00017161 |
| 7 | 3p | 2.122435 | -.01238535 |
| 8 | 5p | 34.505491 | -.00010419 |
| ORB.ENERGY,a.u. | -4.982400 | ||
| NORM | 1.000000 | < R > | .567481 | < R2 > | .401614 | < 1/R > | 2.304073 | < 1/R**2 > | 7.457124 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.650138 | .34831022 |
| 2 | 2s | 5.131792 | -.82698218 |
| 3 | 3s | 4.352154 | -.30192287 |
| 4 | 4s | 16.583514 | .00515683 |
| 5 | 3s | 15.379398 | .00671562 |
| 6 | 5s | 33.332252 | .00032163 |
| 7 | 5s | 3.414567 | -.00265540 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .603411 | < R2 > | .432506 | < 1/R > | 2.412138 | < 1/R**2 > | 23.946360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196338 | .91370727 |
| 2 | 1s | 18.085479 | .08396350 |
| 3 | 2s | 6.998597 | .01941726 |
| 4 | 3s | 8.821172 | -.02062469 |
| 5 | 4s | 11.159786 | .01077814 |
| 6 | 5s | 31.059375 | .00091797 |
| 7 | 4s | 71.033982 | -.00004298 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120160 | < R2 > | .019418 | < 1/R > | 12.595461 | < 1/R**2 > | 320.370524 |
Total Energy= -236.92426259 a.u.
Kinetic Energy= 236.93781288 a.u.
Potential Energy= -473.86207547 a.u.
Virial Ratio = -1.99994281